4-phenyl-N-(4-phenylphenyl)-N-[4-(3,8,11,12-tetraphenylindolo[2,3-a]carbazol-5-yl)phenyl]aniline

C72H49N3 — CID 90126284

IUPAC4-phenyl-N-(4-phenylphenyl)-N-[4-(3,8,11,12-tetraphenylindolo[2,3-a]carbazol-5-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cc5c6cc(-c7ccccc7)ccc6n(-c6ccccc6)c5c5c4c4cc(-c6ccccc6)ccc4n5-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C72H49N3/c1-7-19-50(20-8-1)54-31-39-61(40-32-54)73(62-41-33-55(34-42-62)51-21-9-2-10-22-51)63-43-35-56(36-44-63)64-49-66-65-47-57(52-23-11-3-12-24-52)37-45-68(65)74(59-27-15-5-16-28-59)71(66)72-70(64)67-48-58(53-25-13-4-14-26-53)38-46-69(67)75(72)60-29-17-6-18-30-60/h1-49H
InChIKeyXIMSMQPJDJBNLA-UHFFFAOYSA-N
MW956.21 g/mol
LogP19.69
Rot. Bonds10

About 4-phenyl-N-(4-phenylphenyl)-N-[4-(3,8,11,12-tetraphenylindolo[2,3-a]carbazol-5-yl)phenyl]aniline

4-phenyl-N-(4-phenylphenyl)-N-[4-(3,8,11,12-tetraphenylindolo[2,3-a]carbazol-5-yl)phenyl]aniline (PubChem CID 90126284) has the molecular formula C72H49N3 and a molecular weight of 956.21 g/mol. Its IUPAC name is 4-phenyl-N-(4-phenylphenyl)-N-[4-(3,8,11,12-tetraphenylindolo[2,3-a]carbazol-5-yl)phenyl]aniline.

Molecular Properties

Compound Name4-phenyl-N-(4-phenylphenyl)-N-[4-(3,8,11,12-tetraphenylindolo[2,3-a]carbazol-5-yl)phenyl]aniline
PubChem CID90126284
Molecular FormulaC72H49N3
Molecular Weight956.21 g/mol
Exact Mass955.39
IUPAC Name4-phenyl-N-(4-phenylphenyl)-N-[4-(3,8,11,12-tetraphenylindolo[2,3-a]carbazol-5-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cc5c6cc(-c7ccccc7)ccc6n(-c6ccccc6)c5c5c4c4cc(-c6ccccc6)ccc4n5-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C72H49N3/c1-7-19-50(20-8-1)54-31-39-61(40-32-54)73(62-41-33-55(34-42-62)51-21-9-2-10-22-51)63-43-35-56(36-44-63)64-49-66-65-47-57(52-23-11-3-12-24-52)37-45-68(65)74(59-27-15-5-16-28-59)71(66)72-70(64)67-48-58(53-25-13-4-14-26-53)38-46-69(67)75(72)60-29-17-6-18-30-60/h1-49H
InChIKeyXIMSMQPJDJBNLA-UHFFFAOYSA-N
XLogP19.69
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500956.21
LogP ≤ 519.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,8-dinaphthalen-1-yl-11,12-diphenylindolo[2,3-a]carbazol-5-yl)-N,N-diphenylaniline
CID 90126271
N-[4-[3-(6,9-diphenylcarbazol-3-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 59470021
N-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 121312844
11,12-diphenyl-5-[3-(9-phenylcarbazol-3-yl)phenyl]indolo[2,3-a]carbazole
CID 138736516
N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59469837
N-phenyl-4-(4-phenylphenyl)-N-[4-[6-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]aniline
CID 122524703
N,N-bis(4-pyridin-2-ylphenyl)-4-(6,8,9-triphenylcarbazol-3-yl)aniline
CID 145110624
4-[4-(4-benzo[a]carbazol-11-ylphenyl)phenyl]-N,N-diphenylaniline;N-[4-[4-(4-benzo[a]carbazol-11-ylphenyl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-(5,8-diphenylbenzo[a]carbazol-11-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 161328307
N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-N,4-bis(4-fluorophenyl)aniline
CID 90193949
4-[2-(6,9-diphenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline
CID 118337175
N,N-diphenyl-4-[11-phenyl-6-(4-phenylphenyl)benzo[a]carbazol-9-yl]aniline
CID 174306559
1,3-diphenyl-9-(4-phenylphenyl)-6-[4-(6,8,9-triphenylcarbazol-3-yl)phenyl]carbazole
CID 121449228

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(4-phenylphenyl)-N-[4-(3,8,11,12-tetraphenylindolo[2,3-a]carbazol-5-yl)phenyl]aniline?
The IUPAC name of 4-phenyl-N-(4-phenylphenyl)-N-[4-(3,8,11,12-tetraphenylindolo[2,3-a]carbazol-5-yl)phenyl]aniline (CID 90126284) is 4-phenyl-N-(4-phenylphenyl)-N-[4-(3,8,11,12-tetraphenylindolo[2,3-a]carbazol-5-yl)phenyl]aniline.
What is the SMILES notation for 4-phenyl-N-(4-phenylphenyl)-N-[4-(3,8,11,12-tetraphenylindolo[2,3-a]carbazol-5-yl)phenyl]aniline?
The canonical SMILES for 4-phenyl-N-(4-phenylphenyl)-N-[4-(3,8,11,12-tetraphenylindolo[2,3-a]carbazol-5-yl)phenyl]aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cc5c6cc(-c7ccccc7)ccc6n(-c6ccccc6)c5c5c4c4cc(-c6ccccc6)ccc4n5-c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of 4-phenyl-N-(4-phenylphenyl)-N-[4-(3,8,11,12-tetraphenylindolo[2,3-a]carbazol-5-yl)phenyl]aniline?
The InChIKey is XIMSMQPJDJBNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H49N3/c1-7-19-50(20-8-1)54-31-39-61(40-32-54)73(62-41-33-55(34-42-62)51-21-9-2-10-22-51)63-43-35-56(36-44-63)64-49-66-65-47-57(52-23-11-3-12-24-52)37-45-68(65)74(59-27-15-5-16-28-59)71(66)72-70(64)67-48-58(53-25-13-4-14-26-53)38-46-69(67)75(72)60-29-17-6-18-30-60/h1-49H.
What are the key properties of 4-phenyl-N-(4-phenylphenyl)-N-[4-(3,8,11,12-tetraphenylindolo[2,3-a]carbazol-5-yl)phenyl]aniline?
4-phenyl-N-(4-phenylphenyl)-N-[4-(3,8,11,12-tetraphenylindolo[2,3-a]carbazol-5-yl)phenyl]aniline has a molecular weight of 956.21 g/mol, XLogP of 19.69, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(4-phenylphenyl)-N-[4-(3,8,11,12-tetraphenylindolo[2,3-a]carbazol-5-yl)phenyl]aniline is sourced from PubChem (CID 90126284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).