N,9-diphenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]carbazol-3-amine

C51H41N3 — CID 168810563

IUPACN,9-diphenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]carbazol-3-amine
SMILESCC(C)(c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc(N(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C51H41N3/c1-51(2,38-27-31-44(32-28-38)52(40-17-7-3-8-18-40)41-19-9-4-10-20-41)39-29-33-45(34-30-39)53(42-21-11-5-12-22-42)46-35-36-50-48(37-46)47-25-15-16-26-49(47)54(50)43-23-13-6-14-24-43/h3-37H,1-2H3
InChIKeyPZOHIMCKYNMACM-UHFFFAOYSA-N
MW695.91 g/mol
LogP14.05
Rot. Bonds9

About N,9-diphenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]carbazol-3-amine

N,9-diphenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]carbazol-3-amine (PubChem CID 168810563) has the molecular formula C51H41N3 and a molecular weight of 695.91 g/mol. Its IUPAC name is N,9-diphenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]carbazol-3-amine.

Molecular Properties

Compound NameN,9-diphenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]carbazol-3-amine
PubChem CID168810563
Molecular FormulaC51H41N3
Molecular Weight695.91 g/mol
Exact Mass695.33
IUPAC NameN,9-diphenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]carbazol-3-amine
SMILESCC(C)(c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc(N(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C51H41N3/c1-51(2,38-27-31-44(32-28-38)52(40-17-7-3-8-18-40)41-19-9-4-10-20-41)39-29-33-45(34-30-39)53(42-21-11-5-12-22-42)46-35-36-50-48(37-46)47-25-15-16-26-49(47)54(50)43-23-13-6-14-24-43/h3-37H,1-2H3
InChIKeyPZOHIMCKYNMACM-UHFFFAOYSA-N
XLogP14.05
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500695.91
LogP ≤ 514.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-bis(4-tert-butylphenyl)-9-[3-(2-phenylpropan-2-yl)phenyl]carbazol-3-amine;9-[3,5-bis(2-phenylpropan-2-yl)phenyl]-3-carbazol-9-ylcarbazole;N,N-diphenyl-9-[4-(2-phenylpropan-2-yl)phenyl]carbazol-3-amine
CID 163526099
N-(4-tert-butylphenyl)-N,9-diphenylcarbazol-2-amine
CID 167340371
N-phenyl-9-(9-phenylcarbazol-3-yl)-N-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-3-amine
CID 59365518
N,N-diphenyl-9-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 90168095
N-[9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazol-3-yl]-N,9-diphenylcarbazol-3-amine
CID 172537557
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
N-(4-methylphenyl)-N,9-diphenylcarbazol-3-amine
CID 90181897
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
9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 58651963
2-N,2-N,6-N,6-N,9-N,9-N,10-N-heptakis-phenyl-10-N-(9-phenylcarbazol-3-yl)anthracene-2,6,9,10-tetramine
CID 172546753
N-(4-carbazol-9-ylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 129061469

Frequently Asked Questions

What is the IUPAC name of N,9-diphenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]carbazol-3-amine?
The IUPAC name of N,9-diphenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]carbazol-3-amine (CID 168810563) is N,9-diphenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]carbazol-3-amine.
What is the SMILES notation for N,9-diphenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]carbazol-3-amine?
The canonical SMILES for N,9-diphenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]carbazol-3-amine is CC(C)(c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc(N(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.
What is the InChIKey of N,9-diphenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]carbazol-3-amine?
The InChIKey is PZOHIMCKYNMACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H41N3/c1-51(2,38-27-31-44(32-28-38)52(40-17-7-3-8-18-40)41-19-9-4-10-20-41)39-29-33-45(34-30-39)53(42-21-11-5-12-22-42)46-35-36-50-48(37-46)47-25-15-16-26-49(47)54(50)43-23-13-6-14-24-43/h3-37H,1-2H3.
What are the key properties of N,9-diphenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]carbazol-3-amine?
N,9-diphenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]carbazol-3-amine has a molecular weight of 695.91 g/mol, XLogP of 14.05, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,9-diphenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]carbazol-3-amine is sourced from PubChem (CID 168810563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).