9-phenyl-N-[4-[4-[(9-phenylcarbazol-3-yl)amino]phenyl]phenyl]carbazol-3-amine

C48H34N4 — CID 118227253

IUPAC9-phenyl-N-[4-[4-[(9-phenylcarbazol-3-yl)amino]phenyl]phenyl]carbazol-3-amine
SMILESc1ccc(-n2c3ccccc3c3cc(Nc4ccc(-c5ccc(Nc6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5)cc4)ccc32)cc1
InChIInChI=1S/C48H34N4/c1-3-11-39(12-4-1)51-45-17-9-7-15-41(45)43-31-37(27-29-47(43)51)49-35-23-19-33(20-24-35)34-21-25-36(26-22-34)50-38-28-30-48-44(32-38)42-16-8-10-18-46(42)52(48)40-13-5-2-6-14-40/h1-32,49-50H
InChIKeyVOXYCOUPTRFOQZ-UHFFFAOYSA-N
MW666.83 g/mol
LogP13.03
Rot. Bonds7

About 9-phenyl-N-[4-[4-[(9-phenylcarbazol-3-yl)amino]phenyl]phenyl]carbazol-3-amine

9-phenyl-N-[4-[4-[(9-phenylcarbazol-3-yl)amino]phenyl]phenyl]carbazol-3-amine (PubChem CID 118227253) has the molecular formula C48H34N4 and a molecular weight of 666.83 g/mol. Its IUPAC name is 9-phenyl-N-[4-[4-[(9-phenylcarbazol-3-yl)amino]phenyl]phenyl]carbazol-3-amine.

Molecular Properties

Compound Name9-phenyl-N-[4-[4-[(9-phenylcarbazol-3-yl)amino]phenyl]phenyl]carbazol-3-amine
PubChem CID118227253
Molecular FormulaC48H34N4
Molecular Weight666.83 g/mol
Exact Mass666.28
IUPAC Name9-phenyl-N-[4-[4-[(9-phenylcarbazol-3-yl)amino]phenyl]phenyl]carbazol-3-amine
SMILESc1ccc(-n2c3ccccc3c3cc(Nc4ccc(-c5ccc(Nc6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5)cc4)ccc32)cc1
InChIInChI=1S/C48H34N4/c1-3-11-39(12-4-1)51-45-17-9-7-15-41(45)43-31-37(27-29-47(43)51)49-35-23-19-33(20-24-35)34-21-25-36(26-22-34)50-38-28-30-48-44(32-38)42-16-8-10-18-46(42)52(48)40-13-5-2-6-14-40/h1-32,49-50H
InChIKeyVOXYCOUPTRFOQZ-UHFFFAOYSA-N
XLogP13.03
TPSA33.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.83
LogP ≤ 513.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 9-phenyl-N-[4-[4-[(9-phenylcarbazol-3-yl)amino]phenyl]phenyl]carbazol-3-amine with MolForge

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Related Compounds

N-phenyl-9-(4-phenylphenyl)carbazol-2-amine;9-phenyl-N-(4-phenylphenyl)carbazol-3-amine;9-phenyl-N-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-2-amine
CID 159366258
9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 142745530
N-(4-fluorophenyl)-4-(9-phenylcarbazol-3-yl)aniline
CID 59828035
N-phenyl-3-(9-phenylcarbazol-3-yl)aniline
CID 59827989
N-[4-(9-phenylcarbazol-3-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-amine
CID 118188114
4-(4-naphthalen-2-ylphenyl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline
CID 59288178
N-(4-naphthalen-2-ylphenyl)-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 59288183
3-bromo-9-phenylcarbazole;N,9-diphenylcarbazol-3-amine
CID 161460507
N-phenyl-4-[9-(3-phenylphenyl)carbazol-3-yl]aniline
CID 59828022
4-(4-ethenylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 177116992
ethane;N-naphthalen-2-yl-9-phenylcarbazol-3-amine
CID 144861482
1-N-phenyl-4-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(4-phenylphenyl)benzene-1,4-diamine
CID 175396320

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-N-[4-[4-[(9-phenylcarbazol-3-yl)amino]phenyl]phenyl]carbazol-3-amine?
The IUPAC name of 9-phenyl-N-[4-[4-[(9-phenylcarbazol-3-yl)amino]phenyl]phenyl]carbazol-3-amine (CID 118227253) is 9-phenyl-N-[4-[4-[(9-phenylcarbazol-3-yl)amino]phenyl]phenyl]carbazol-3-amine.
What is the SMILES notation for 9-phenyl-N-[4-[4-[(9-phenylcarbazol-3-yl)amino]phenyl]phenyl]carbazol-3-amine?
The canonical SMILES for 9-phenyl-N-[4-[4-[(9-phenylcarbazol-3-yl)amino]phenyl]phenyl]carbazol-3-amine is c1ccc(-n2c3ccccc3c3cc(Nc4ccc(-c5ccc(Nc6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5)cc4)ccc32)cc1.
What is the InChIKey of 9-phenyl-N-[4-[4-[(9-phenylcarbazol-3-yl)amino]phenyl]phenyl]carbazol-3-amine?
The InChIKey is VOXYCOUPTRFOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N4/c1-3-11-39(12-4-1)51-45-17-9-7-15-41(45)43-31-37(27-29-47(43)51)49-35-23-19-33(20-24-35)34-21-25-36(26-22-34)50-38-28-30-48-44(32-38)42-16-8-10-18-46(42)52(48)40-13-5-2-6-14-40/h1-32,49-50H.
What are the key properties of 9-phenyl-N-[4-[4-[(9-phenylcarbazol-3-yl)amino]phenyl]phenyl]carbazol-3-amine?
9-phenyl-N-[4-[4-[(9-phenylcarbazol-3-yl)amino]phenyl]phenyl]carbazol-3-amine has a molecular weight of 666.83 g/mol, XLogP of 13.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-N-[4-[4-[(9-phenylcarbazol-3-yl)amino]phenyl]phenyl]carbazol-3-amine is sourced from PubChem (CID 118227253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).