N-[4-[2,3-diphenyl-1-(4-phenylphenyl)benzo[g]indol-5-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)-4b,8a-dihydrocarbazol-3-amine

C72H51N3 — CID 88969898

IUPACN-[4-[2,3-diphenyl-1-(4-phenylphenyl)benzo[g]indol-5-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)-4b,8a-dihydrocarbazol-3-amine
SMILESC1=CC2c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5cc6c(-c7ccccc7)c(-c7ccccc7)n(-c7ccc(-c8ccccc8)cc7)c6c6ccccc56)cc4)ccc3N(c3ccccc3)C2C=C1
InChIInChI=1S/C72H51N3/c1-6-20-50(21-7-1)52-34-40-58(41-35-52)73(61-46-47-69-66(48-61)63-31-18-19-33-68(63)74(69)57-28-14-5-15-29-57)59-44-38-54(39-45-59)65-49-67-70(55-24-10-3-11-25-55)71(56-26-12-4-13-27-56)75(72(67)64-32-17-16-30-62(64)65)60-42-36-53(37-43-60)51-22-8-2-9-23-51/h1-49,63,68H
InChIKeyYAUFHFWMURNOAG-UHFFFAOYSA-N
MW958.22 g/mol
LogP19.32
Rot. Bonds10

About N-[4-[2,3-diphenyl-1-(4-phenylphenyl)benzo[g]indol-5-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)-4b,8a-dihydrocarbazol-3-amine

N-[4-[2,3-diphenyl-1-(4-phenylphenyl)benzo[g]indol-5-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)-4b,8a-dihydrocarbazol-3-amine (PubChem CID 88969898) has the molecular formula C72H51N3 and a molecular weight of 958.22 g/mol. Its IUPAC name is N-[4-[2,3-diphenyl-1-(4-phenylphenyl)benzo[g]indol-5-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)-4b,8a-dihydrocarbazol-3-amine.

Molecular Properties

Compound NameN-[4-[2,3-diphenyl-1-(4-phenylphenyl)benzo[g]indol-5-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)-4b,8a-dihydrocarbazol-3-amine
PubChem CID88969898
Molecular FormulaC72H51N3
Molecular Weight958.22 g/mol
Exact Mass957.41
IUPAC NameN-[4-[2,3-diphenyl-1-(4-phenylphenyl)benzo[g]indol-5-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)-4b,8a-dihydrocarbazol-3-amine
SMILESC1=CC2c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5cc6c(-c7ccccc7)c(-c7ccccc7)n(-c7ccc(-c8ccccc8)cc7)c6c6ccccc56)cc4)ccc3N(c3ccccc3)C2C=C1
InChIInChI=1S/C72H51N3/c1-6-20-50(21-7-1)52-34-40-58(41-35-52)73(61-46-47-69-66(48-61)63-31-18-19-33-68(63)74(69)57-28-14-5-15-29-57)59-44-38-54(39-45-59)65-49-67-70(55-24-10-3-11-25-55)71(56-26-12-4-13-27-56)75(72(67)64-32-17-16-30-62(64)65)60-42-36-53(37-43-60)51-22-8-2-9-23-51/h1-49,63,68H
InChIKeyYAUFHFWMURNOAG-UHFFFAOYSA-N
XLogP19.32
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500958.22
LogP ≤ 519.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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
CID 88967344
CID 88967344
1-N-phenyl-4-N-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-1-N,4-N-bis(9-phenylcarbazol-3-yl)benzene-1,4-diamine
CID 89059839
4b,9,9-trimethyl-N,N-bis[4-(1,2,3-triphenylbenzo[g]indol-5-yl)phenyl]-8aH-fluoren-2-amine
CID 88967342
N-naphthalen-2-yl-N-[4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]naphthalen-1-yl]-9-phenyl-4b,8a-dihydrocarbazol-3-amine
CID 70918178
N-[4-[9,9-dimethyl-7-(4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)fluoren-2-yl]phenyl]-9-phenyl-N-[4-[4-(N-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 137443923
3-(4a,9a-dihydrocarbazol-9-yl)-N,N-bis(4-phenylphenyl)aniline
CID 155205314
4-dibenzothiophen-4-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(1,2,3-triphenylbenzo[g]indol-5-yl)phenyl]aniline
CID 58161429
4-phenyl-N-[4-(9-phenyl-4b,8a-dihydrocarbazol-2-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 131993919
N,9-diphenyl-N-[4-[4-(N-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine;N-[3-methyl-4-[2-methyl-4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-naphthalen-1-yl-N-[4-[4-[naphthalen-1-yl-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)amino]phenyl]phenyl]-9-phenylcarbazol-3-amine;N-[4-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 165019490
9,9-dimethyl-N-[4-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 144896810
9-cyclohexa-1,3-dien-1-yl-N-phenyl-N-[4-[4-(N-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 67892046

Frequently Asked Questions

What is the IUPAC name of N-[4-[2,3-diphenyl-1-(4-phenylphenyl)benzo[g]indol-5-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)-4b,8a-dihydrocarbazol-3-amine?
The IUPAC name of 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) is N-[4-[2,3-diphenyl-1-(4-phenylphenyl)benzo[g]indol-5-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)-4b,8a-dihydrocarbazol-3-amine.
What is the SMILES notation for N-[4-[2,3-diphenyl-1-(4-phenylphenyl)benzo[g]indol-5-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)-4b,8a-dihydrocarbazol-3-amine?
The canonical SMILES for N-[4-[2,3-diphenyl-1-(4-phenylphenyl)benzo[g]indol-5-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)-4b,8a-dihydrocarbazol-3-amine is C1=CC2c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5cc6c(-c7ccccc7)c(-c7ccccc7)n(-c7ccc(-c8ccccc8)cc7)c6c6ccccc56)cc4)ccc3N(c3ccccc3)C2C=C1.
What is the InChIKey of N-[4-[2,3-diphenyl-1-(4-phenylphenyl)benzo[g]indol-5-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)-4b,8a-dihydrocarbazol-3-amine?
The InChIKey is YAUFHFWMURNOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H51N3/c1-6-20-50(21-7-1)52-34-40-58(41-35-52)73(61-46-47-69-66(48-61)63-31-18-19-33-68(63)74(69)57-28-14-5-15-29-57)59-44-38-54(39-45-59)65-49-67-70(55-24-10-3-11-25-55)71(56-26-12-4-13-27-56)75(72(67)64-32-17-16-30-62(64)65)60-42-36-53(37-43-60)51-22-8-2-9-23-51/h1-49,63,68H.
What are the key properties of N-[4-[2,3-diphenyl-1-(4-phenylphenyl)benzo[g]indol-5-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)-4b,8a-dihydrocarbazol-3-amine?
N-[4-[2,3-diphenyl-1-(4-phenylphenyl)benzo[g]indol-5-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)-4b,8a-dihydrocarbazol-3-amine has a molecular weight of 958.22 g/mol, XLogP of 19.32, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2,3-diphenyl-1-(4-phenylphenyl)benzo[g]indol-5-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)-4b,8a-dihydrocarbazol-3-amine is sourced from PubChem (CID 88969898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).