9-N'-(2,4-dimethylphenyl)-17-N'-(2,5-dimethylphenyl)-9-N'-[4-[3-(N-[9'-(N-(2,5-dimethylphenyl)anilino)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-yl]-2,5-dimethylanilino)phenyl]phenyl]-17-N'-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',17'-diamine

C122H90N4 — CID 137492881

IUPAC9-N'-(2,4-dimethylphenyl)-17-N'-(2,5-dimethylphenyl)-9-N'-[4-[3-(N-[9'-(N-(2,5-dimethylphenyl)anilino)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-yl]-2,5-dimethylanilino)phenyl]phenyl]-17-N'-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',17'-diamine
SMILESCc1ccc(N(c2ccc(-c3cccc(N(c4ccc5cc6c(cc5c4)C4(c5ccccc5-c5ccccc54)c4cc(N(c5ccccc5)c5cc(C)ccc5C)c5ccccc5c4-6)c4cc(C)ccc4C)c3)cc2)c2cc3c(c4ccccc24)-c2cc4ccc(N(c5ccccc5)c5cc(C)ccc5C)cc4cc2C32c3ccccc3-c3ccccc32)c(C)c1
InChIInChI=1S/C122H90N4/c1-75-49-61-113(82(8)62-75)125(117-73-111-119(101-40-17-15-38-99(101)117)103-69-85-55-59-93(123(89-29-11-9-12-30-89)114-63-76(2)46-50-79(114)5)67-87(85)71-109(103)121(111)105-42-23-19-34-95(105)96-35-20-24-43-106(96)121)91-57-53-83(54-58-91)84-28-27-33-92(66-84)124(115-64-77(3)47-51-80(115)6)94-60-56-86-70-104-110(72-88(86)68-94)122(107-44-25-21-36-97(107)98-37-22-26-45-108(98)122)112-74-118(100-39-16-18-41-102(100)120(104)112)126(90-31-13-10-14-32-90)116-65-78(4)48-52-81(116)7/h9-74H,1-8H3
InChIKeyKHJBBYHEWODISR-UHFFFAOYSA-N
MW1612.09 g/mol
LogP33.00
Rot. Bonds13

About 9-N'-(2,4-dimethylphenyl)-17-N'-(2,5-dimethylphenyl)-9-N'-[4-[3-(N-[9'-(N-(2,5-dimethylphenyl)anilino)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-yl]-2,5-dimethylanilino)phenyl]phenyl]-17-N'-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',17'-diamine

9-N'-(2,4-dimethylphenyl)-17-N'-(2,5-dimethylphenyl)-9-N'-[4-[3-(N-[9'-(N-(2,5-dimethylphenyl)anilino)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-yl]-2,5-dimethylanilino)phenyl]phenyl]-17-N'-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',17'-diamine (PubChem CID 137492881) has the molecular formula C122H90N4 and a molecular weight of 1612.09 g/mol. Its IUPAC name is 9-N'-(2,4-dimethylphenyl)-17-N'-(2,5-dimethylphenyl)-9-N'-[4-[3-(N-[9'-(N-(2,5-dimethylphenyl)anilino)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-yl]-2,5-dimethylanilino)phenyl]phenyl]-17-N'-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',17'-diamine.

Molecular Properties

Compound Name9-N'-(2,4-dimethylphenyl)-17-N'-(2,5-dimethylphenyl)-9-N'-[4-[3-(N-[9'-(N-(2,5-dimethylphenyl)anilino)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-yl]-2,5-dimethylanilino)phenyl]phenyl]-17-N'-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',17'-diamine
PubChem CID137492881
Molecular FormulaC122H90N4
Molecular Weight1612.09 g/mol
Exact Mass1610.72
IUPAC Name9-N'-(2,4-dimethylphenyl)-17-N'-(2,5-dimethylphenyl)-9-N'-[4-[3-(N-[9'-(N-(2,5-dimethylphenyl)anilino)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-yl]-2,5-dimethylanilino)phenyl]phenyl]-17-N'-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',17'-diamine
SMILESCc1ccc(N(c2ccc(-c3cccc(N(c4ccc5cc6c(cc5c4)C4(c5ccccc5-c5ccccc54)c4cc(N(c5ccccc5)c5cc(C)ccc5C)c5ccccc5c4-6)c4cc(C)ccc4C)c3)cc2)c2cc3c(c4ccccc24)-c2cc4ccc(N(c5ccccc5)c5cc(C)ccc5C)cc4cc2C32c3ccccc3-c3ccccc32)c(C)c1
InChIInChI=1S/C122H90N4/c1-75-49-61-113(82(8)62-75)125(117-73-111-119(101-40-17-15-38-99(101)117)103-69-85-55-59-93(123(89-29-11-9-12-30-89)114-63-76(2)46-50-79(114)5)67-87(85)71-109(103)121(111)105-42-23-19-34-95(105)96-35-20-24-43-106(96)121)91-57-53-83(54-58-91)84-28-27-33-92(66-84)124(115-64-77(3)47-51-80(115)6)94-60-56-86-70-104-110(72-88(86)68-94)122(107-44-25-21-36-97(107)98-37-22-26-45-108(98)122)112-74-118(100-39-16-18-41-102(100)120(104)112)126(90-31-13-10-14-32-90)116-65-78(4)48-52-81(116)7/h9-74H,1-8H3
InChIKeyKHJBBYHEWODISR-UHFFFAOYSA-N
XLogP33.00
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms126
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001612.09
LogP ≤ 533.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-N'-(2,4-dimethylphenyl)-17-N'-(2,5-dimethylphenyl)-9-N'-[4-[3-(N-[9'-(N-(2,5-dimethylphenyl)anilino)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-yl]-2,5-dimethylanilino)phenyl]phenyl]-17-N'-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',17'-diamine with MolForge

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Related Compounds

9-N',17-N'-diphenyl-9-N',17-N'-bis(4-phenylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',17'-diamine
CID 137492787
N-(2,5-dimethylphenyl)-N-(4-methylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-amine
CID 137494940
9-N',17-N'-bis(4-ethylphenyl)-9-N'-phenyl-17-N'-[3-[4-(4-propan-2-yl-N-[17'-(N-(4-propan-2-ylphenyl)anilino)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-yl]anilino)phenyl]phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',17'-diamine
CID 174251318
7-N'-(2,4-dimethylphenyl)-17-N'-(2,5-dimethylphenyl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7',17'-diamine
CID 137494010
N-(2,4-diphenylphenyl)-N-phenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-amine
CID 137493757
N,N-bis(4-cyclohexylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-amine;N-(2,5-dimethylphenyl)-N-(4-methylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-amine;N-(3,5-dimethylphenyl)-N-(2-methylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-amine;N-(2,4-diphenylphenyl)-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-amine;N-(2,5-diphenylphenyl)-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-amine;N-(2-fluorophenyl)-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-amine
CID 159575088
N-phenyl-N-(3,4,5-trimethylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-amine
CID 140962814
N-(2,5-dimethylphenyl)-N-(4-methylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-amine
CID 137494379
N-(2,4-dimethylphenyl)-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-amine
CID 137494447
N-[4-[4-(N-(7,7-dimethylbenzo[c]fluoren-5-yl)-4-methylanilino)phenyl]phenyl]-7,7-dimethyl-N-(4-methylphenyl)benzo[c]fluoren-5-amine;N-[4-[4-(N-(7,7-dimethylbenzo[c]fluoren-5-yl)-3-phenylanilino)phenyl]phenyl]-7,7-dimethyl-N-(3-phenylphenyl)benzo[c]fluoren-5-amine
CID 159608670
2-N',5-N,5-N-triphenyl-2-N'-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-2',5-diamine
CID 168775192
9-N',17-N'-bis(2,4-diphenylphenyl)-9-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-9',17'-diamine
CID 145353209

Frequently Asked Questions

What is the IUPAC name of 9-N'-(2,4-dimethylphenyl)-17-N'-(2,5-dimethylphenyl)-9-N'-[4-[3-(N-[9'-(N-(2,5-dimethylphenyl)anilino)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-yl]-2,5-dimethylanilino)phenyl]phenyl]-17-N'-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',17'-diamine?
The IUPAC name of 9-N'-(2,4-dimethylphenyl)-17-N'-(2,5-dimethylphenyl)-9-N'-[4-[3-(N-[9'-(N-(2,5-dimethylphenyl)anilino)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-yl]-2,5-dimethylanilino)phenyl]phenyl]-17-N'-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',17'-diamine (CID 137492881) is 9-N'-(2,4-dimethylphenyl)-17-N'-(2,5-dimethylphenyl)-9-N'-[4-[3-(N-[9'-(N-(2,5-dimethylphenyl)anilino)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-yl]-2,5-dimethylanilino)phenyl]phenyl]-17-N'-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',17'-diamine.
What is the SMILES notation for 9-N'-(2,4-dimethylphenyl)-17-N'-(2,5-dimethylphenyl)-9-N'-[4-[3-(N-[9'-(N-(2,5-dimethylphenyl)anilino)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-yl]-2,5-dimethylanilino)phenyl]phenyl]-17-N'-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',17'-diamine?
The canonical SMILES for 9-N'-(2,4-dimethylphenyl)-17-N'-(2,5-dimethylphenyl)-9-N'-[4-[3-(N-[9'-(N-(2,5-dimethylphenyl)anilino)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-yl]-2,5-dimethylanilino)phenyl]phenyl]-17-N'-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',17'-diamine is Cc1ccc(N(c2ccc(-c3cccc(N(c4ccc5cc6c(cc5c4)C4(c5ccccc5-c5ccccc54)c4cc(N(c5ccccc5)c5cc(C)ccc5C)c5ccccc5c4-6)c4cc(C)ccc4C)c3)cc2)c2cc3c(c4ccccc24)-c2cc4ccc(N(c5ccccc5)c5cc(C)ccc5C)cc4cc2C32c3ccccc3-c3ccccc32)c(C)c1.
What is the InChIKey of 9-N'-(2,4-dimethylphenyl)-17-N'-(2,5-dimethylphenyl)-9-N'-[4-[3-(N-[9'-(N-(2,5-dimethylphenyl)anilino)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-yl]-2,5-dimethylanilino)phenyl]phenyl]-17-N'-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',17'-diamine?
The InChIKey is KHJBBYHEWODISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C122H90N4/c1-75-49-61-113(82(8)62-75)125(117-73-111-119(101-40-17-15-38-99(101)117)103-69-85-55-59-93(123(89-29-11-9-12-30-89)114-63-76(2)46-50-79(114)5)67-87(85)71-109(103)121(111)105-42-23-19-34-95(105)96-35-20-24-43-106(96)121)91-57-53-83(54-58-91)84-28-27-33-92(66-84)124(115-64-77(3)47-51-80(115)6)94-60-56-86-70-104-110(72-88(86)68-94)122(107-44-25-21-36-97(107)98-37-22-26-45-108(98)122)112-74-118(100-39-16-18-41-102(100)120(104)112)126(90-31-13-10-14-32-90)116-65-78(4)48-52-81(116)7/h9-74H,1-8H3.
What are the key properties of 9-N'-(2,4-dimethylphenyl)-17-N'-(2,5-dimethylphenyl)-9-N'-[4-[3-(N-[9'-(N-(2,5-dimethylphenyl)anilino)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-yl]-2,5-dimethylanilino)phenyl]phenyl]-17-N'-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',17'-diamine?
9-N'-(2,4-dimethylphenyl)-17-N'-(2,5-dimethylphenyl)-9-N'-[4-[3-(N-[9'-(N-(2,5-dimethylphenyl)anilino)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-yl]-2,5-dimethylanilino)phenyl]phenyl]-17-N'-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',17'-diamine has a molecular weight of 1612.09 g/mol, XLogP of 33.00, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-N'-(2,4-dimethylphenyl)-17-N'-(2,5-dimethylphenyl)-9-N'-[4-[3-(N-[9'-(N-(2,5-dimethylphenyl)anilino)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-yl]-2,5-dimethylanilino)phenyl]phenyl]-17-N'-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',17'-diamine is sourced from PubChem (CID 137492881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).