7-N',7-N',17-N',17-N'-tetrakis(9-phenylcarbazol-3-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-7',17'-diamine

C105H66N6 — CID 137493597

IUPAC7-N',7-N',17-N',17-N'-tetrakis(9-phenylcarbazol-3-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-7',17'-diamine
SMILESc1ccc(-n2c3ccccc3c3cc(N(c4ccc5cc6c(cc5c4)C4(c5ccccc5-c5ccccc54)c4c-6ccc5cc(N(c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc45)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)cc1
InChIInChI=1S/C105H66N6/c1-5-25-70(26-6-1)108-96-41-21-15-35-83(96)89-63-76(49-55-100(89)108)106(77-50-56-101-90(64-77)84-36-16-22-42-97(84)109(101)71-27-7-2-8-28-71)74-47-45-67-61-88-87-53-46-68-59-75(48-54-80(68)104(87)105(95(88)62-69(67)60-74)93-39-19-13-33-81(93)82-34-14-20-40-94(82)105)107(78-51-57-102-91(65-78)85-37-17-23-43-98(85)110(102)72-29-9-3-10-30-72)79-52-58-103-92(66-79)86-38-18-24-44-99(86)111(103)73-31-11-4-12-32-73/h1-66H
InChIKeyFDTTYQNTMYDPGF-UHFFFAOYSA-N
MW1411.72 g/mol
LogP27.66
Rot. Bonds10

About 7-N',7-N',17-N',17-N'-tetrakis(9-phenylcarbazol-3-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-7',17'-diamine

7-N',7-N',17-N',17-N'-tetrakis(9-phenylcarbazol-3-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-7',17'-diamine (PubChem CID 137493597) has the molecular formula C105H66N6 and a molecular weight of 1411.72 g/mol. Its IUPAC name is 7-N',7-N',17-N',17-N'-tetrakis(9-phenylcarbazol-3-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-7',17'-diamine.

Molecular Properties

Compound Name7-N',7-N',17-N',17-N'-tetrakis(9-phenylcarbazol-3-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-7',17'-diamine
PubChem CID137493597
Molecular FormulaC105H66N6
Molecular Weight1411.72 g/mol
Exact Mass1410.53
IUPAC Name7-N',7-N',17-N',17-N'-tetrakis(9-phenylcarbazol-3-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-7',17'-diamine
SMILESc1ccc(-n2c3ccccc3c3cc(N(c4ccc5cc6c(cc5c4)C4(c5ccccc5-c5ccccc54)c4c-6ccc5cc(N(c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc45)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)cc1
InChIInChI=1S/C105H66N6/c1-5-25-70(26-6-1)108-96-41-21-15-35-83(96)89-63-76(49-55-100(89)108)106(77-50-56-101-90(64-77)84-36-16-22-42-97(84)109(101)71-27-7-2-8-28-71)74-47-45-67-61-88-87-53-46-68-59-75(48-54-80(68)104(87)105(95(88)62-69(67)60-74)93-39-19-13-33-81(93)82-34-14-20-40-94(82)105)107(78-51-57-102-91(65-78)85-37-17-23-43-98(85)110(102)72-29-9-3-10-30-72)79-52-58-103-92(66-79)86-38-18-24-44-99(86)111(103)73-31-11-4-12-32-73/h1-66H
InChIKeyFDTTYQNTMYDPGF-UHFFFAOYSA-N
XLogP27.66
TPSA26.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms111
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001411.72
LogP ≤ 527.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-N',7-N',17-N',17-N'-tetrakis(9-phenylcarbazol-3-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-7',17'-diamine with MolForge

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Related Compounds

9-phenyl-N-(4-phenylphenyl)-N-spiro[benzo[a]fluorene-11,9'-fluorene]-2'-ylcarbazol-3-amine
CID 134216030
N-(4-carbazol-9-ylphenyl)-N-pyren-2-ylpyren-2-amine;N,N-di(pyren-2-yl)-9,9'-spirobi[fluorene]-2-amine;9-phenyl-N,N-di(pyren-2-yl)carbazol-3-amine
CID 159843414
5-N',20-N'-diphenyl-5-N',20-N'-bis(9-phenylcarbazol-3-yl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5',20'-diamine
CID 140962691
2-N'-naphthalen-2-yl-1-N,1-N-diphenyl-2-N'-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-1,2'-diamine
CID 164838093
N-naphthalen-2-yl-9-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine;9-naphthalen-1-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine;9-naphthalen-2-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine
CID 159187067
9-naphthalen-2-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine
CID 59782759
3-N',3-N',10-N-triphenyl-10-N-(9-phenylcarbazol-3-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-3',10-diamine
CID 168775000
N-naphthalen-2-yl-9,9-diphenyl-N-[9-phenyl-9-(9-phenylcarbazol-3-yl)fluoren-2-yl]fluoren-2-amine
CID 134452960
N,9-diphenyl-N-(9,9'-spirobi[fluorene]-3-yl)carbazol-3-amine
CID 126538335
9-phenyl-N-(4-phenylphenyl)-N-spiro[benzo[a]fluorene-11,9'-xanthene]-9-ylcarbazol-3-amine
CID 164730871
N-(9,9-diphenylfluoren-2-yl)-N-phenylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-5-amine;N-(5-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,9-diphenylcarbazol-2-amine;N-(5-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,9-diphenylcarbazol-3-amine
CID 159860260
17-carbazol-9-yl-N-(9,9-diphenylfluoren-2-yl)-N-phenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166032529

Frequently Asked Questions

What is the IUPAC name of 7-N',7-N',17-N',17-N'-tetrakis(9-phenylcarbazol-3-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-7',17'-diamine?
The IUPAC name of 7-N',7-N',17-N',17-N'-tetrakis(9-phenylcarbazol-3-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-7',17'-diamine (CID 137493597) is 7-N',7-N',17-N',17-N'-tetrakis(9-phenylcarbazol-3-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-7',17'-diamine.
What is the SMILES notation for 7-N',7-N',17-N',17-N'-tetrakis(9-phenylcarbazol-3-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-7',17'-diamine?
The canonical SMILES for 7-N',7-N',17-N',17-N'-tetrakis(9-phenylcarbazol-3-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-7',17'-diamine is c1ccc(-n2c3ccccc3c3cc(N(c4ccc5cc6c(cc5c4)C4(c5ccccc5-c5ccccc54)c4c-6ccc5cc(N(c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc45)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)cc1.
What is the InChIKey of 7-N',7-N',17-N',17-N'-tetrakis(9-phenylcarbazol-3-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-7',17'-diamine?
The InChIKey is FDTTYQNTMYDPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C105H66N6/c1-5-25-70(26-6-1)108-96-41-21-15-35-83(96)89-63-76(49-55-100(89)108)106(77-50-56-101-90(64-77)84-36-16-22-42-97(84)109(101)71-27-7-2-8-28-71)74-47-45-67-61-88-87-53-46-68-59-75(48-54-80(68)104(87)105(95(88)62-69(67)60-74)93-39-19-13-33-81(93)82-34-14-20-40-94(82)105)107(78-51-57-102-91(65-78)85-37-17-23-43-98(85)110(102)72-29-9-3-10-30-72)79-52-58-103-92(66-79)86-38-18-24-44-99(86)111(103)73-31-11-4-12-32-73/h1-66H.
What are the key properties of 7-N',7-N',17-N',17-N'-tetrakis(9-phenylcarbazol-3-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-7',17'-diamine?
7-N',7-N',17-N',17-N'-tetrakis(9-phenylcarbazol-3-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-7',17'-diamine has a molecular weight of 1411.72 g/mol, XLogP of 27.66, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N',7-N',17-N',17-N'-tetrakis(9-phenylcarbazol-3-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-7',17'-diamine is sourced from PubChem (CID 137493597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).