N-(6,9-diphenylcarbazol-3-yl)-5,9-diphenyl-N-(3-phenylphenyl)carbazol-3-amine

C60H41N3 — CID 169010447

IUPACN-(6,9-diphenylcarbazol-3-yl)-5,9-diphenyl-N-(3-phenylphenyl)carbazol-3-amine
SMILESc1ccc(-c2cccc(N(c3ccc4c(c3)c3cc(-c5ccccc5)ccc3n4-c3ccccc3)c3ccc4c(c3)c3c(-c5ccccc5)cccc3n4-c3ccccc3)c2)cc1
InChIInChI=1S/C60H41N3/c1-6-18-42(19-7-1)45-24-16-29-49(38-45)61(50-33-36-57-54(40-50)53-39-46(43-20-8-2-9-21-43)32-35-56(53)62(57)47-25-12-4-13-26-47)51-34-37-58-55(41-51)60-52(44-22-10-3-11-23-44)30-17-31-59(60)63(58)48-27-14-5-15-28-48/h1-41H
InChIKeyQURYHUNEGLWFQK-UHFFFAOYSA-N
MW804.01 g/mol
LogP16.35
Rot. Bonds8

About N-(6,9-diphenylcarbazol-3-yl)-5,9-diphenyl-N-(3-phenylphenyl)carbazol-3-amine

N-(6,9-diphenylcarbazol-3-yl)-5,9-diphenyl-N-(3-phenylphenyl)carbazol-3-amine (PubChem CID 169010447) has the molecular formula C60H41N3 and a molecular weight of 804.01 g/mol. Its IUPAC name is N-(6,9-diphenylcarbazol-3-yl)-5,9-diphenyl-N-(3-phenylphenyl)carbazol-3-amine.

Molecular Properties

Compound NameN-(6,9-diphenylcarbazol-3-yl)-5,9-diphenyl-N-(3-phenylphenyl)carbazol-3-amine
PubChem CID169010447
Molecular FormulaC60H41N3
Molecular Weight804.01 g/mol
Exact Mass803.33
IUPAC NameN-(6,9-diphenylcarbazol-3-yl)-5,9-diphenyl-N-(3-phenylphenyl)carbazol-3-amine
SMILESc1ccc(-c2cccc(N(c3ccc4c(c3)c3cc(-c5ccccc5)ccc3n4-c3ccccc3)c3ccc4c(c3)c3c(-c5ccccc5)cccc3n4-c3ccccc3)c2)cc1
InChIInChI=1S/C60H41N3/c1-6-18-42(19-7-1)45-24-16-29-49(38-45)61(50-33-36-57-54(40-50)53-39-46(43-20-8-2-9-21-43)32-35-56(53)62(57)47-25-12-4-13-26-47)51-34-37-58-55(41-51)60-52(44-22-10-3-11-23-44)30-17-31-59(60)63(58)48-27-14-5-15-28-48/h1-41H
InChIKeyQURYHUNEGLWFQK-UHFFFAOYSA-N
XLogP16.35
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.01
LogP ≤ 516.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5,9-diphenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 169009894
N-(3-carbazol-9-ylphenyl)-5,9-diphenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 169010115
N-[3-(6,9-diphenylcarbazol-4-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 167195810
5,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(2-phenylphenyl)carbazol-3-amine
CID 169009793
9-phenyl-3-(9-phenylcarbazol-3-yl)-5-[4-(4-phenylphenyl)phenyl]carbazole
CID 134369783
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-[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-phenyl-N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 166660552
3-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 166660074
5,9-diphenyl-3-(9-phenylcarbazol-3-yl)carbazole;5-phenyl-3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 160685377

Frequently Asked Questions

What is the IUPAC name of N-(6,9-diphenylcarbazol-3-yl)-5,9-diphenyl-N-(3-phenylphenyl)carbazol-3-amine?
The IUPAC name of N-(6,9-diphenylcarbazol-3-yl)-5,9-diphenyl-N-(3-phenylphenyl)carbazol-3-amine (CID 169010447) is N-(6,9-diphenylcarbazol-3-yl)-5,9-diphenyl-N-(3-phenylphenyl)carbazol-3-amine.
What is the SMILES notation for N-(6,9-diphenylcarbazol-3-yl)-5,9-diphenyl-N-(3-phenylphenyl)carbazol-3-amine?
The canonical SMILES for N-(6,9-diphenylcarbazol-3-yl)-5,9-diphenyl-N-(3-phenylphenyl)carbazol-3-amine is c1ccc(-c2cccc(N(c3ccc4c(c3)c3cc(-c5ccccc5)ccc3n4-c3ccccc3)c3ccc4c(c3)c3c(-c5ccccc5)cccc3n4-c3ccccc3)c2)cc1.
What is the InChIKey of N-(6,9-diphenylcarbazol-3-yl)-5,9-diphenyl-N-(3-phenylphenyl)carbazol-3-amine?
The InChIKey is QURYHUNEGLWFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41N3/c1-6-18-42(19-7-1)45-24-16-29-49(38-45)61(50-33-36-57-54(40-50)53-39-46(43-20-8-2-9-21-43)32-35-56(53)62(57)47-25-12-4-13-26-47)51-34-37-58-55(41-51)60-52(44-22-10-3-11-23-44)30-17-31-59(60)63(58)48-27-14-5-15-28-48/h1-41H.
What are the key properties of N-(6,9-diphenylcarbazol-3-yl)-5,9-diphenyl-N-(3-phenylphenyl)carbazol-3-amine?
N-(6,9-diphenylcarbazol-3-yl)-5,9-diphenyl-N-(3-phenylphenyl)carbazol-3-amine has a molecular weight of 804.01 g/mol, XLogP of 16.35, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,9-diphenylcarbazol-3-yl)-5,9-diphenyl-N-(3-phenylphenyl)carbazol-3-amine is sourced from PubChem (CID 169010447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).