4-N-[6-tert-butyl-9-(4-phenylphenyl)carbazol-3-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine

C52H43N3 — CID 59844233

IUPAC4-N-[6-tert-butyl-9-(4-phenylphenyl)carbazol-3-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
SMILESCC(C)(C)c1ccc2c(c1)c1cc(N(c3ccccc3)c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc1n2-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C52H43N3/c1-52(2,3)40-26-34-50-48(36-40)49-37-47(33-35-51(49)55(50)46-27-24-39(25-28-46)38-16-8-4-9-17-38)54(43-22-14-7-15-23-43)45-31-29-44(30-32-45)53(41-18-10-5-11-19-41)42-20-12-6-13-21-42/h4-37H,1-3H3
InChIKeyUVOYCOHETVAJKO-UHFFFAOYSA-N
MW709.94 g/mol
LogP14.69
Rot. Bonds8

About 4-N-[6-tert-butyl-9-(4-phenylphenyl)carbazol-3-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine

4-N-[6-tert-butyl-9-(4-phenylphenyl)carbazol-3-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine (PubChem CID 59844233) has the molecular formula C52H43N3 and a molecular weight of 709.94 g/mol. Its IUPAC name is 4-N-[6-tert-butyl-9-(4-phenylphenyl)carbazol-3-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[6-tert-butyl-9-(4-phenylphenyl)carbazol-3-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
PubChem CID59844233
Molecular FormulaC52H43N3
Molecular Weight709.94 g/mol
Exact Mass709.35
IUPAC Name4-N-[6-tert-butyl-9-(4-phenylphenyl)carbazol-3-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
SMILESCC(C)(C)c1ccc2c(c1)c1cc(N(c3ccccc3)c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc1n2-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C52H43N3/c1-52(2,3)40-26-34-50-48(36-40)49-37-47(33-35-51(49)55(50)46-27-24-39(25-28-46)38-16-8-4-9-17-38)54(43-22-14-7-15-23-43)45-31-29-44(30-32-45)53(41-18-10-5-11-19-41)42-20-12-6-13-21-42/h4-37H,1-3H3
InChIKeyUVOYCOHETVAJKO-UHFFFAOYSA-N
XLogP14.69
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.94
LogP ≤ 514.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,3-N-bis[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine
CID 59816003
9-[4-[3-tert-butyl-10-(4-phenylphenyl)anthracen-9-yl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
CID 59844640
N-(4-carbazol-9-ylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 129061469
N-(4-tert-butylphenyl)-4-[9-(4-tert-butylphenyl)carbazol-3-yl]-N-phenylaniline
CID 143859069
4-(4-carbazol-9-ylphenyl)-N-[4-[4-(N-[4-(4-carbazol-9-ylphenyl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline;N-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]-4-[4-(N-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]anilino)phenyl]-N-phenylaniline;N-[4-(3,6-diethylcarbazol-9-yl)phenyl]-4-[4-(N-[4-(3,6-diethylcarbazol-9-yl)phenyl]anilino)phenyl]-N-phenylaniline
CID 160593676
N-[4-[3-tert-butyl-10-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 87401325
N-phenyl-4-(4-phenylphenyl)-N-[4-[6-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]aniline
CID 122524703
N-[9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazol-3-yl]-N,9-diphenylcarbazol-3-amine
CID 172537557
1-N,3-N-bis[4-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine
CID 59816026
N,9-diphenyl-N-[9-[4-[4-[4-[3-(N-(9-phenylcarbazol-3-yl)anilino)carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazol-3-amine
CID 172537472
N,9-diphenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine;1-N,1-N,4-N-triphenyl-4-N-[4-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]benzene-1,4-diamine
CID 159618005
3-(3,6-ditert-butylcarbazol-9-yl)-N,N-diphenylaniline
CID 175173187

Frequently Asked Questions

What is the IUPAC name of 4-N-[6-tert-butyl-9-(4-phenylphenyl)carbazol-3-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine?
The IUPAC name of 4-N-[6-tert-butyl-9-(4-phenylphenyl)carbazol-3-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine (CID 59844233) is 4-N-[6-tert-butyl-9-(4-phenylphenyl)carbazol-3-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-[6-tert-butyl-9-(4-phenylphenyl)carbazol-3-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine?
The canonical SMILES for 4-N-[6-tert-butyl-9-(4-phenylphenyl)carbazol-3-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine is CC(C)(C)c1ccc2c(c1)c1cc(N(c3ccccc3)c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc1n2-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-N-[6-tert-butyl-9-(4-phenylphenyl)carbazol-3-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine?
The InChIKey is UVOYCOHETVAJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H43N3/c1-52(2,3)40-26-34-50-48(36-40)49-37-47(33-35-51(49)55(50)46-27-24-39(25-28-46)38-16-8-4-9-17-38)54(43-22-14-7-15-23-43)45-31-29-44(30-32-45)53(41-18-10-5-11-19-41)42-20-12-6-13-21-42/h4-37H,1-3H3.
What are the key properties of 4-N-[6-tert-butyl-9-(4-phenylphenyl)carbazol-3-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine?
4-N-[6-tert-butyl-9-(4-phenylphenyl)carbazol-3-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine has a molecular weight of 709.94 g/mol, XLogP of 14.69, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[6-tert-butyl-9-(4-phenylphenyl)carbazol-3-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine is sourced from PubChem (CID 59844233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).