4b,9,9-trimethyl-N,N-bis[4-(1,2,3-triphenylbenzo[g]indol-5-yl)phenyl]-8aH-fluoren-2-amine

C88H65N3 — CID 88967342

IUPAC4b,9,9-trimethyl-N,N-bis[4-(1,2,3-triphenylbenzo[g]indol-5-yl)phenyl]-8aH-fluoren-2-amine
SMILESCC1(C)c2cc(N(c3ccc(-c4cc5c(-c6ccccc6)c(-c6ccccc6)n(-c6ccccc6)c5c5ccccc45)cc3)c3ccc(-c4cc5c(-c6ccccc6)c(-c6ccccc6)n(-c6ccccc6)c5c5ccccc45)cc3)ccc2C2(C)C=CC=CC12
InChIInChI=1S/C88H65N3/c1-87(2)79-56-69(53-54-78(79)88(3)55-27-26-44-80(87)88)89(67-49-45-59(46-50-67)74-57-76-81(61-28-10-4-11-29-61)83(63-32-14-6-15-33-63)90(65-36-18-8-19-37-65)85(76)72-42-24-22-40-70(72)74)68-51-47-60(48-52-68)75-58-77-82(62-30-12-5-13-31-62)84(64-34-16-7-17-35-64)91(66-38-20-9-21-39-66)86(77)73-43-25-23-41-71(73)75/h4-58,80H,1-3H3
InChIKeyYRXXCMFADYTJHD-UHFFFAOYSA-N
MW1164.51 g/mol
LogP23.64
Rot. Bonds11

About 4b,9,9-trimethyl-N,N-bis[4-(1,2,3-triphenylbenzo[g]indol-5-yl)phenyl]-8aH-fluoren-2-amine

4b,9,9-trimethyl-N,N-bis[4-(1,2,3-triphenylbenzo[g]indol-5-yl)phenyl]-8aH-fluoren-2-amine (PubChem CID 88967342) has the molecular formula C88H65N3 and a molecular weight of 1164.51 g/mol. Its IUPAC name is 4b,9,9-trimethyl-N,N-bis[4-(1,2,3-triphenylbenzo[g]indol-5-yl)phenyl]-8aH-fluoren-2-amine.

Molecular Properties

Compound Name4b,9,9-trimethyl-N,N-bis[4-(1,2,3-triphenylbenzo[g]indol-5-yl)phenyl]-8aH-fluoren-2-amine
PubChem CID88967342
Molecular FormulaC88H65N3
Molecular Weight1164.51 g/mol
Exact Mass1163.52
IUPAC Name4b,9,9-trimethyl-N,N-bis[4-(1,2,3-triphenylbenzo[g]indol-5-yl)phenyl]-8aH-fluoren-2-amine
SMILESCC1(C)c2cc(N(c3ccc(-c4cc5c(-c6ccccc6)c(-c6ccccc6)n(-c6ccccc6)c5c5ccccc45)cc3)c3ccc(-c4cc5c(-c6ccccc6)c(-c6ccccc6)n(-c6ccccc6)c5c5ccccc45)cc3)ccc2C2(C)C=CC=CC12
InChIInChI=1S/C88H65N3/c1-87(2)79-56-69(53-54-78(79)88(3)55-27-26-44-80(87)88)89(67-49-45-59(46-50-67)74-57-76-81(61-28-10-4-11-29-61)83(63-32-14-6-15-33-63)90(65-36-18-8-19-37-65)85(76)72-42-24-22-40-70(72)74)68-51-47-60(48-52-68)75-58-77-82(62-30-12-5-13-31-62)84(64-34-16-7-17-35-64)91(66-38-20-9-21-39-66)86(77)73-43-25-23-41-71(73)75/h4-58,80H,1-3H3
InChIKeyYRXXCMFADYTJHD-UHFFFAOYSA-N
XLogP23.64
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms91
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001164.51
LogP ≤ 523.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4b,9,9-trimethyl-N,N-bis[4-(1,2,3-triphenylbenzo[g]indol-5-yl)phenyl]-8aH-fluoren-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-[4-(1,2,3-triphenylbenzo[g]indol-5-yl)phenyl]benzene-1,4-diamine
CID 58161352
N-[4-[2,3-diphenyl-1-(4-phenylphenyl)benzo[g]indol-5-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)-4b,8a-dihydrocarbazol-3-amine
CID 88969898
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]fluoren-2-amine
CID 58161674
N-(4-chrysen-6-ylphenyl)-4b,9,9-trimethyl-N-(4-naphthalen-1-ylphenyl)-8aH-fluoren-3-amine
CID 170139102
N-[4-(5-fluoro-1,2-diphenylbenzo[g]indol-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 134399176
4-N-[9,9-dimethyl-7-(1,2,3-triphenylbenzo[g]indol-6-yl)fluoren-2-yl]-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 58161658
3-(4b,9,9-trimethyl-8aH-fluoren-2-yl)-6-(4-carbazol-9-ylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 163828573
9,9-dimethyl-N,N-bis[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]fluoren-2-amine;9-phenyl-N,N-bis[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]carbazol-3-amine;4-(1,2,3-triphenylbenzo[g]indol-6-yl)-N,N-bis[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]aniline
CID 160966968
N-[4-[4-(1,2-diphenylphenanthro[9,10-b]pyrrol-3-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 121445484
9,9-dimethyl-N-naphthalen-1-yl-N-[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]fluoren-2-amine
CID 58161700
9,9-dimethyl-N-phenyl-N-[4-[2-(1,2,3-triphenylindol-7-yl)ethenyl]phenyl]fluoren-2-amine
CID 123977635
9,9-dimethyl-N,N-bis(4-phenylphenyl)-7-[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]fluoren-2-amine;N-[4-[9,9-dimethyl-7-(1,2,3-triphenylbenzo[g]indol-6-yl)fluoren-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-N-[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[5-(1,2,3-triphenylbenzo[g]indol-6-yl)furan-2-yl]phenyl]aniline
CID 158854741

Frequently Asked Questions

What is the IUPAC name of 4b,9,9-trimethyl-N,N-bis[4-(1,2,3-triphenylbenzo[g]indol-5-yl)phenyl]-8aH-fluoren-2-amine?
The IUPAC name of 4b,9,9-trimethyl-N,N-bis[4-(1,2,3-triphenylbenzo[g]indol-5-yl)phenyl]-8aH-fluoren-2-amine (CID 88967342) is 4b,9,9-trimethyl-N,N-bis[4-(1,2,3-triphenylbenzo[g]indol-5-yl)phenyl]-8aH-fluoren-2-amine.
What is the SMILES notation for 4b,9,9-trimethyl-N,N-bis[4-(1,2,3-triphenylbenzo[g]indol-5-yl)phenyl]-8aH-fluoren-2-amine?
The canonical SMILES for 4b,9,9-trimethyl-N,N-bis[4-(1,2,3-triphenylbenzo[g]indol-5-yl)phenyl]-8aH-fluoren-2-amine is CC1(C)c2cc(N(c3ccc(-c4cc5c(-c6ccccc6)c(-c6ccccc6)n(-c6ccccc6)c5c5ccccc45)cc3)c3ccc(-c4cc5c(-c6ccccc6)c(-c6ccccc6)n(-c6ccccc6)c5c5ccccc45)cc3)ccc2C2(C)C=CC=CC12.
What is the InChIKey of 4b,9,9-trimethyl-N,N-bis[4-(1,2,3-triphenylbenzo[g]indol-5-yl)phenyl]-8aH-fluoren-2-amine?
The InChIKey is YRXXCMFADYTJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H65N3/c1-87(2)79-56-69(53-54-78(79)88(3)55-27-26-44-80(87)88)89(67-49-45-59(46-50-67)74-57-76-81(61-28-10-4-11-29-61)83(63-32-14-6-15-33-63)90(65-36-18-8-19-37-65)85(76)72-42-24-22-40-70(72)74)68-51-47-60(48-52-68)75-58-77-82(62-30-12-5-13-31-62)84(64-34-16-7-17-35-64)91(66-38-20-9-21-39-66)86(77)73-43-25-23-41-71(73)75/h4-58,80H,1-3H3.
What are the key properties of 4b,9,9-trimethyl-N,N-bis[4-(1,2,3-triphenylbenzo[g]indol-5-yl)phenyl]-8aH-fluoren-2-amine?
4b,9,9-trimethyl-N,N-bis[4-(1,2,3-triphenylbenzo[g]indol-5-yl)phenyl]-8aH-fluoren-2-amine has a molecular weight of 1164.51 g/mol, XLogP of 23.64, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4b,9,9-trimethyl-N,N-bis[4-(1,2,3-triphenylbenzo[g]indol-5-yl)phenyl]-8aH-fluoren-2-amine is sourced from PubChem (CID 88967342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).