5,9-diphenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine

C54H38N2 — CID 169009894

IUPAC5,9-diphenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4cccc(-c5ccccc5)c4)c4ccc5c(c4)c4c(-c6ccccc6)cccc4n5-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C54H38N2/c1-5-15-39(16-6-1)41-27-29-42(30-28-41)43-31-33-47(34-32-43)55(48-24-13-21-45(37-48)40-17-7-2-8-18-40)49-35-36-52-51(38-49)54-50(44-19-9-3-10-20-44)25-14-26-53(54)56(52)46-22-11-4-12-23-46/h1-38H
InChIKeyMNVTXRIXEOECRE-UHFFFAOYSA-N
MW714.91 g/mol
LogP14.92
Rot. Bonds8

About 5,9-diphenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine

5,9-diphenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine (PubChem CID 169009894) has the molecular formula C54H38N2 and a molecular weight of 714.91 g/mol. Its IUPAC name is 5,9-diphenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine.

Molecular Properties

Compound Name5,9-diphenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
PubChem CID169009894
Molecular FormulaC54H38N2
Molecular Weight714.91 g/mol
Exact Mass714.30
IUPAC Name5,9-diphenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4cccc(-c5ccccc5)c4)c4ccc5c(c4)c4c(-c6ccccc6)cccc4n5-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C54H38N2/c1-5-15-39(16-6-1)41-27-29-42(30-28-41)43-31-33-47(34-32-43)55(48-24-13-21-45(37-48)40-17-7-2-8-18-40)49-35-36-52-51(38-49)54-50(44-19-9-3-10-20-44)25-14-26-53(54)56(52)46-22-11-4-12-23-46/h1-38H
InChIKeyMNVTXRIXEOECRE-UHFFFAOYSA-N
XLogP14.92
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.91
LogP ≤ 514.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(6,9-diphenylcarbazol-3-yl)-5,9-diphenyl-N-(3-phenylphenyl)carbazol-3-amine
CID 169010447
N-(3-carbazol-9-ylphenyl)-5,9-diphenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 169010115
5,9-diphenyl-N-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)carbazol-3-amine
CID 169009943
5,9-diphenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-(3-phenylphenyl)carbazol-2-amine
CID 169009961
3-phenyl-N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 166660552
3-[3-(9-phenylcarbazol-4-yl)phenyl]-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 166660208
3-[3-(9-phenylcarbazol-4-yl)phenyl]-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 167196004
3-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 166660074
N-[3-(6,9-diphenylcarbazol-4-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 167195810
5,9-diphenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-3-amine
CID 169010302
3-(5,9-diphenylcarbazol-4-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 166659553
N-[4-(3,5-diphenylphenyl)phenyl]-3,5-diphenyl-N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]aniline
CID 167195663

Frequently Asked Questions

What is the IUPAC name of 5,9-diphenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine?
The IUPAC name of 5,9-diphenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine (CID 169009894) is 5,9-diphenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine.
What is the SMILES notation for 5,9-diphenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine?
The canonical SMILES for 5,9-diphenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine is c1ccc(-c2ccc(-c3ccc(N(c4cccc(-c5ccccc5)c4)c4ccc5c(c4)c4c(-c6ccccc6)cccc4n5-c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of 5,9-diphenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine?
The InChIKey is MNVTXRIXEOECRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38N2/c1-5-15-39(16-6-1)41-27-29-42(30-28-41)43-31-33-47(34-32-43)55(48-24-13-21-45(37-48)40-17-7-2-8-18-40)49-35-36-52-51(38-49)54-50(44-19-9-3-10-20-44)25-14-26-53(54)56(52)46-22-11-4-12-23-46/h1-38H.
What are the key properties of 5,9-diphenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine?
5,9-diphenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine has a molecular weight of 714.91 g/mol, XLogP of 14.92, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9-diphenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine is sourced from PubChem (CID 169009894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).