9-N',15-N'-bis(4-fluorophenyl)-10-phenyl-15-N'-(9-phenylcarbazol-2-yl)-9-N'-(9-phenylcarbazol-3-yl)spiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine;4-[[15'-(4-cyano-N-(9-phenylcarbazol-2-yl)anilino)-10-phenylspiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-yl]-(9-phenylcarbazol-3-yl)amino]benzonitrile;N-(4-fluorophenyl)-10-phenyl-N-(9-phenylcarbazol-3-yl)spiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-amine

C239H150F3N15 — CID 165058551

IUPAC9-N',15-N'-bis(4-fluorophenyl)-10-phenyl-15-N'-(9-phenylcarbazol-2-yl)-9-N'-(9-phenylcarbazol-3-yl)spiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine;4-[[15'-(4-cyano-N-(9-phenylcarbazol-2-yl)anilino)-10-phenylspiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-yl]-(9-phenylcarbazol-3-yl)amino]benzonitrile;N-(4-fluorophenyl)-10-phenyl-N-(9-phenylcarbazol-3-yl)spiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-amine
SMILESFc1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2cc3c(c4ccccc24)-c2c(cc(N(c4ccc(F)cc4)c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c4ccccc24)C32c3ccccc3N(c3ccccc3)c3ccccc32)cc1.Fc1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2cc3c(c4ccccc24)-c2c(ccc4ccccc24)C32c3ccccc3N(c3ccccc3)c3ccccc32)cc1.N#Cc1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2cc3c(c4ccccc24)-c2c(cc(N(c4ccc(C#N)cc4)c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c4ccccc24)C32c3ccccc3N(c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C89H55N7.C87H55F2N5.C63H40FN3/c90-56-58-40-44-63(45-41-58)92(65-49-51-81-74(52-65)70-31-15-19-37-80(70)94(81)60-22-4-1-5-23-60)85-54-77-87(72-32-12-10-29-68(72)85)88-73-33-13-11-30-69(73)86(55-78(88)89(77)75-34-16-20-38-82(75)96(62-26-8-3-9-27-62)83-39-21-17-35-76(83)89)93(64-46-42-59(57-91)43-47-64)66-48-50-71-67-28-14-18-36-79(67)95(84(71)53-66)61-24-6-2-7-25-61;88-56-40-44-61(45-41-56)90(63-49-51-79-72(52-63)68-31-15-19-37-78(68)92(79)58-22-4-1-5-23-58)83-54-75-85(70-32-12-10-29-66(70)83)86-71-33-13-11-30-67(71)84(55-76(86)87(75)73-34-16-20-38-80(73)94(60-26-8-3-9-27-60)81-39-21-17-35-74(81)87)91(62-46-42-57(89)43-47-62)64-48-50-69-65-28-14-18-36-77(65)93(82(69)53-64)59-24-6-2-7-25-59;64-42-32-34-45(35-33-42)65(46-36-38-57-51(39-46)49-24-11-14-28-56(49)66(57)43-18-3-1-4-19-43)60-40-55-62(50-25-10-9-23-48(50)60)61-47-22-8-7-17-41(47)31-37-54(61)63(55)52-26-12-15-29-58(52)67(44-20-5-2-6-21-44)59-30-16-13-27-53(59)63/h1-55H;1-55H;1-40H
InChIKeyQVDQIHYUPAFBKJ-UHFFFAOYSA-N
MW3288.93 g/mol
LogP63.41
Rot. Bonds23

About 9-N',15-N'-bis(4-fluorophenyl)-10-phenyl-15-N'-(9-phenylcarbazol-2-yl)-9-N'-(9-phenylcarbazol-3-yl)spiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine;4-[[15'-(4-cyano-N-(9-phenylcarbazol-2-yl)anilino)-10-phenylspiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-yl]-(9-phenylcarbazol-3-yl)amino]benzonitrile;N-(4-fluorophenyl)-10-phenyl-N-(9-phenylcarbazol-3-yl)spiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-amine

9-N',15-N'-bis(4-fluorophenyl)-10-phenyl-15-N'-(9-phenylcarbazol-2-yl)-9-N'-(9-phenylcarbazol-3-yl)spiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine;4-[[15'-(4-cyano-N-(9-phenylcarbazol-2-yl)anilino)-10-phenylspiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-yl]-(9-phenylcarbazol-3-yl)amino]benzonitrile;N-(4-fluorophenyl)-10-phenyl-N-(9-phenylcarbazol-3-yl)spiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-amine (PubChem CID 165058551) has the molecular formula C239H150F3N15 and a molecular weight of 3288.93 g/mol. Its IUPAC name is 9-N',15-N'-bis(4-fluorophenyl)-10-phenyl-15-N'-(9-phenylcarbazol-2-yl)-9-N'-(9-phenylcarbazol-3-yl)spiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine;4-[[15'-(4-cyano-N-(9-phenylcarbazol-2-yl)anilino)-10-phenylspiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-yl]-(9-phenylcarbazol-3-yl)amino]benzonitrile;N-(4-fluorophenyl)-10-phenyl-N-(9-phenylcarbazol-3-yl)spiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-amine.

Molecular Properties

Compound Name9-N',15-N'-bis(4-fluorophenyl)-10-phenyl-15-N'-(9-phenylcarbazol-2-yl)-9-N'-(9-phenylcarbazol-3-yl)spiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine;4-[[15'-(4-cyano-N-(9-phenylcarbazol-2-yl)anilino)-10-phenylspiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-yl]-(9-phenylcarbazol-3-yl)amino]benzonitrile;N-(4-fluorophenyl)-10-phenyl-N-(9-phenylcarbazol-3-yl)spiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-amine
PubChem CID165058551
Molecular FormulaC239H150F3N15
Molecular Weight3288.93 g/mol
Exact Mass3286.22
IUPAC Name9-N',15-N'-bis(4-fluorophenyl)-10-phenyl-15-N'-(9-phenylcarbazol-2-yl)-9-N'-(9-phenylcarbazol-3-yl)spiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine;4-[[15'-(4-cyano-N-(9-phenylcarbazol-2-yl)anilino)-10-phenylspiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-yl]-(9-phenylcarbazol-3-yl)amino]benzonitrile;N-(4-fluorophenyl)-10-phenyl-N-(9-phenylcarbazol-3-yl)spiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-amine
SMILESFc1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2cc3c(c4ccccc24)-c2c(cc(N(c4ccc(F)cc4)c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c4ccccc24)C32c3ccccc3N(c3ccccc3)c3ccccc32)cc1.Fc1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2cc3c(c4ccccc24)-c2c(ccc4ccccc24)C32c3ccccc3N(c3ccccc3)c3ccccc32)cc1.N#Cc1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2cc3c(c4ccccc24)-c2c(cc(N(c4ccc(C#N)cc4)c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c4ccccc24)C32c3ccccc3N(c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C89H55N7.C87H55F2N5.C63H40FN3/c90-56-58-40-44-63(45-41-58)92(65-49-51-81-74(52-65)70-31-15-19-37-80(70)94(81)60-22-4-1-5-23-60)85-54-77-87(72-32-12-10-29-68(72)85)88-73-33-13-11-30-69(73)86(55-78(88)89(77)75-34-16-20-38-82(75)96(62-26-8-3-9-27-62)83-39-21-17-35-76(83)89)93(64-46-42-59(57-91)43-47-64)66-48-50-71-67-28-14-18-36-79(67)95(84(71)53-66)61-24-6-2-7-25-61;88-56-40-44-61(45-41-56)90(63-49-51-79-72(52-63)68-31-15-19-37-78(68)92(79)58-22-4-1-5-23-58)83-54-75-85(70-32-12-10-29-66(70)83)86-71-33-13-11-30-67(71)84(55-76(86)87(75)73-34-16-20-38-80(73)94(60-26-8-3-9-27-60)81-39-21-17-35-74(81)87)91(62-46-42-57(89)43-47-62)64-48-50-69-65-28-14-18-36-77(65)93(82(69)53-64)59-24-6-2-7-25-59;64-42-32-34-45(35-33-42)65(46-36-38-57-51(39-46)49-24-11-14-28-56(49)66(57)43-18-3-1-4-19-43)60-40-55-62(50-25-10-9-23-48(50)60)61-47-22-8-7-17-41(47)31-37-54(61)63(55)52-26-12-15-29-58(52)67(44-20-5-2-6-21-44)59-30-16-13-27-53(59)63/h1-55H;1-55H;1-40H
InChIKeyQVDQIHYUPAFBKJ-UHFFFAOYSA-N
XLogP63.41
TPSA98.15 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds23
Heavy Atoms257
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003288.93
LogP ≤ 563.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 9-N',15-N'-bis(4-fluorophenyl)-10-phenyl-15-N'-(9-phenylcarbazol-2-yl)-9-N'-(9-phenylcarbazol-3-yl)spiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine;4-[[15'-(4-cyano-N-(9-phenylcarbazol-2-yl)anilino)-10-phenylspiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-yl]-(9-phenylcarbazol-3-yl)amino]benzonitrile;N-(4-fluorophenyl)-10-phenyl-N-(9-phenylcarbazol-3-yl)spiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-amine with MolForge

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Related Compounds

5-N,10-N-bis(4-fluorophenyl)-5-N,10-N-bis(9-phenylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-5,10-diamine;5-N,10-N-bis(4-methylphenyl)-5-N,10-N-bis(9-phenylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-5,10-diamine;4-[[10-(4-cyano-N-(9-phenylcarbazol-3-yl)anilino)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-5-yl]-(9-phenylcarbazol-3-yl)amino]benzonitrile
CID 165080808
9-N',15-N'-bis(6-cyclohexyldibenzofuran-4-yl)-9-N',15-N'-bis(4-methylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine;9-N',15-N'-bis(6-cyclohexyldibenzofuran-4-yl)-9-N',15-N'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine;N-(6-cyclohexyldibenzofuran-4-yl)-N-(4-fluorophenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-amine;4-[(6-cyclohexyldibenzofuran-4-yl)-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-ylamino]benzonitrile
CID 165069557
9-N',15-N'-bis(4-tert-butylphenyl)-9-N',15-N'-bis(4-fluorophenyl)-10-phenylspiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine;N,N-bis(4-methylphenyl)-10-phenylspiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-amine;N-(4-tert-butylphenyl)-N-(4-fluorophenyl)-10-phenylspiro[2,3-dihydroacridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-amine
CID 165044497
N-(4-fluorophenyl)-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-amine
CID 137494887
9-N',9-N',15-N',15-N'-tetrakis(4-methylphenyl)-10-phenylspiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine
CID 137416879
6-(4-ethyl-N-(10-phenylspiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-yl)anilino)dibenzofuran-4-carbonitrile
CID 137417044
4-[[15'-(4-cyano-N-dibenzofuran-4-ylanilino)-10-phenylspiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-yl]-dibenzofuran-4-ylamino]benzonitrile
CID 137416796
9-N',15-N'-bis(4-tert-butylphenyl)-9-N',15-N'-bis(6-cyclohexyldibenzofuran-4-yl)-10-phenylspiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine;4-[(6-cyclohexyldibenzofuran-4-yl)-(10-phenylspiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-yl)amino]benzonitrile;N-(6-cyclohexyldibenzofuran-4-yl)-10-phenyl-N-[4-(trifluoromethyl)phenyl]spiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-amine
CID 165091908
4-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)-N-(9-phenylcarbazol-3-yl)anilino]benzonitrile
CID 90336200
N-(4-tert-butylphenyl)-N-(6-fluorodibenzofuran-4-yl)-10-phenylspiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-amine
CID 137416677
9-phenyl-N-(4-phenylphenyl)-N-spiro[benzo[c]fluorene-7,9'-xanthene]-11-ylcarbazol-3-amine
CID 164730877
4-(4-fluoro-N-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)anilino)benzonitrile
CID 90306494

Frequently Asked Questions

What is the IUPAC name of 9-N',15-N'-bis(4-fluorophenyl)-10-phenyl-15-N'-(9-phenylcarbazol-2-yl)-9-N'-(9-phenylcarbazol-3-yl)spiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine;4-[[15'-(4-cyano-N-(9-phenylcarbazol-2-yl)anilino)-10-phenylspiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-yl]-(9-phenylcarbazol-3-yl)amino]benzonitrile;N-(4-fluorophenyl)-10-phenyl-N-(9-phenylcarbazol-3-yl)spiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-amine?
The IUPAC name of 9-N',15-N'-bis(4-fluorophenyl)-10-phenyl-15-N'-(9-phenylcarbazol-2-yl)-9-N'-(9-phenylcarbazol-3-yl)spiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine;4-[[15'-(4-cyano-N-(9-phenylcarbazol-2-yl)anilino)-10-phenylspiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-yl]-(9-phenylcarbazol-3-yl)amino]benzonitrile;N-(4-fluorophenyl)-10-phenyl-N-(9-phenylcarbazol-3-yl)spiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-amine (CID 165058551) is 9-N',15-N'-bis(4-fluorophenyl)-10-phenyl-15-N'-(9-phenylcarbazol-2-yl)-9-N'-(9-phenylcarbazol-3-yl)spiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine;4-[[15'-(4-cyano-N-(9-phenylcarbazol-2-yl)anilino)-10-phenylspiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-yl]-(9-phenylcarbazol-3-yl)amino]benzonitrile;N-(4-fluorophenyl)-10-phenyl-N-(9-phenylcarbazol-3-yl)spiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-amine.
What is the SMILES notation for 9-N',15-N'-bis(4-fluorophenyl)-10-phenyl-15-N'-(9-phenylcarbazol-2-yl)-9-N'-(9-phenylcarbazol-3-yl)spiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine;4-[[15'-(4-cyano-N-(9-phenylcarbazol-2-yl)anilino)-10-phenylspiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-yl]-(9-phenylcarbazol-3-yl)amino]benzonitrile;N-(4-fluorophenyl)-10-phenyl-N-(9-phenylcarbazol-3-yl)spiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-amine?
The canonical SMILES for 9-N',15-N'-bis(4-fluorophenyl)-10-phenyl-15-N'-(9-phenylcarbazol-2-yl)-9-N'-(9-phenylcarbazol-3-yl)spiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine;4-[[15'-(4-cyano-N-(9-phenylcarbazol-2-yl)anilino)-10-phenylspiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-yl]-(9-phenylcarbazol-3-yl)amino]benzonitrile;N-(4-fluorophenyl)-10-phenyl-N-(9-phenylcarbazol-3-yl)spiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-amine is Fc1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2cc3c(c4ccccc24)-c2c(cc(N(c4ccc(F)cc4)c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c4ccccc24)C32c3ccccc3N(c3ccccc3)c3ccccc32)cc1.Fc1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2cc3c(c4ccccc24)-c2c(ccc4ccccc24)C32c3ccccc3N(c3ccccc3)c3ccccc32)cc1.N#Cc1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2cc3c(c4ccccc24)-c2c(cc(N(c4ccc(C#N)cc4)c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c4ccccc24)C32c3ccccc3N(c3ccccc3)c3ccccc32)cc1.
What is the InChIKey of 9-N',15-N'-bis(4-fluorophenyl)-10-phenyl-15-N'-(9-phenylcarbazol-2-yl)-9-N'-(9-phenylcarbazol-3-yl)spiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine;4-[[15'-(4-cyano-N-(9-phenylcarbazol-2-yl)anilino)-10-phenylspiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-yl]-(9-phenylcarbazol-3-yl)amino]benzonitrile;N-(4-fluorophenyl)-10-phenyl-N-(9-phenylcarbazol-3-yl)spiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-amine?
The InChIKey is QVDQIHYUPAFBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C89H55N7.C87H55F2N5.C63H40FN3/c90-56-58-40-44-63(45-41-58)92(65-49-51-81-74(52-65)70-31-15-19-37-80(70)94(81)60-22-4-1-5-23-60)85-54-77-87(72-32-12-10-29-68(72)85)88-73-33-13-11-30-69(73)86(55-78(88)89(77)75-34-16-20-38-82(75)96(62-26-8-3-9-27-62)83-39-21-17-35-76(83)89)93(64-46-42-59(57-91)43-47-64)66-48-50-71-67-28-14-18-36-79(67)95(84(71)53-66)61-24-6-2-7-25-61;88-56-40-44-61(45-41-56)90(63-49-51-79-72(52-63)68-31-15-19-37-78(68)92(79)58-22-4-1-5-23-58)83-54-75-85(70-32-12-10-29-66(70)83)86-71-33-13-11-30-67(71)84(55-76(86)87(75)73-34-16-20-38-80(73)94(60-26-8-3-9-27-60)81-39-21-17-35-74(81)87)91(62-46-42-57(89)43-47-62)64-48-50-69-65-28-14-18-36-77(65)93(82(69)53-64)59-24-6-2-7-25-59;64-42-32-34-45(35-33-42)65(46-36-38-57-51(39-46)49-24-11-14-28-56(49)66(57)43-18-3-1-4-19-43)60-40-55-62(50-25-10-9-23-48(50)60)61-47-22-8-7-17-41(47)31-37-54(61)63(55)52-26-12-15-29-58(52)67(44-20-5-2-6-21-44)59-30-16-13-27-53(59)63/h1-55H;1-55H;1-40H.
What are the key properties of 9-N',15-N'-bis(4-fluorophenyl)-10-phenyl-15-N'-(9-phenylcarbazol-2-yl)-9-N'-(9-phenylcarbazol-3-yl)spiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine;4-[[15'-(4-cyano-N-(9-phenylcarbazol-2-yl)anilino)-10-phenylspiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-yl]-(9-phenylcarbazol-3-yl)amino]benzonitrile;N-(4-fluorophenyl)-10-phenyl-N-(9-phenylcarbazol-3-yl)spiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-amine?
9-N',15-N'-bis(4-fluorophenyl)-10-phenyl-15-N'-(9-phenylcarbazol-2-yl)-9-N'-(9-phenylcarbazol-3-yl)spiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine;4-[[15'-(4-cyano-N-(9-phenylcarbazol-2-yl)anilino)-10-phenylspiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-yl]-(9-phenylcarbazol-3-yl)amino]benzonitrile;N-(4-fluorophenyl)-10-phenyl-N-(9-phenylcarbazol-3-yl)spiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-amine has a molecular weight of 3288.93 g/mol, XLogP of 63.41, 23 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 9-N',15-N'-bis(4-fluorophenyl)-10-phenyl-15-N'-(9-phenylcarbazol-2-yl)-9-N'-(9-phenylcarbazol-3-yl)spiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine;4-[[15'-(4-cyano-N-(9-phenylcarbazol-2-yl)anilino)-10-phenylspiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-yl]-(9-phenylcarbazol-3-yl)amino]benzonitrile;N-(4-fluorophenyl)-10-phenyl-N-(9-phenylcarbazol-3-yl)spiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-amine is sourced from PubChem (CID 165058551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).