9-phenyl-N-(9-phenylcarbazol-4-yl)-N-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-2-amine

C60H40N4 — CID 170286782

IUPAC9-phenyl-N-(9-phenylcarbazol-4-yl)-N-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-2-amine
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4ccc(N(c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c5cccc6c5c5ccccc5n6-c5ccccc5)cc43)c2)cc1
InChIInChI=1S/C60H40N4/c1-4-18-41(19-5-1)42-20-16-25-45(38-42)64-54-30-14-11-27-49(54)51-37-35-47(40-59(51)64)61(46-34-36-50-48-26-10-13-29-53(48)63(58(50)39-46)44-23-8-3-9-24-44)56-32-17-33-57-60(56)52-28-12-15-31-55(52)62(57)43-21-6-2-7-22-43/h1-40H
InChIKeyAZMIYEJOKPRULO-UHFFFAOYSA-N
MW817.01 g/mol
LogP16.11
Rot. Bonds7

About 9-phenyl-N-(9-phenylcarbazol-4-yl)-N-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-2-amine

9-phenyl-N-(9-phenylcarbazol-4-yl)-N-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-2-amine (PubChem CID 170286782) has the molecular formula C60H40N4 and a molecular weight of 817.01 g/mol. Its IUPAC name is 9-phenyl-N-(9-phenylcarbazol-4-yl)-N-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-2-amine.

Molecular Properties

Compound Name9-phenyl-N-(9-phenylcarbazol-4-yl)-N-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-2-amine
PubChem CID170286782
Molecular FormulaC60H40N4
Molecular Weight817.01 g/mol
Exact Mass816.33
IUPAC Name9-phenyl-N-(9-phenylcarbazol-4-yl)-N-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-2-amine
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4ccc(N(c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c5cccc6c5c5ccccc5n6-c5ccccc5)cc43)c2)cc1
InChIInChI=1S/C60H40N4/c1-4-18-41(19-5-1)42-20-16-25-45(38-42)64-54-30-14-11-27-49(54)51-37-35-47(40-59(51)64)61(46-34-36-50-48-26-10-13-29-53(48)63(58(50)39-46)44-23-8-3-9-24-44)56-32-17-33-57-60(56)52-28-12-15-31-55(52)62(57)43-21-6-2-7-22-43/h1-40H
InChIKeyAZMIYEJOKPRULO-UHFFFAOYSA-N
XLogP16.11
TPSA18.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.01
LogP ≤ 516.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-diphenylphenyl)-9-phenyl-N-(9-phenylcarbazol-4-yl)carbazol-2-amine
CID 170286478
N,N,9-tris(4-phenylphenyl)carbazol-2-amine;N,N,9-tris(4-phenylphenyl)carbazol-3-amine;N,N,9-tris(4-phenylphenyl)carbazol-4-amine
CID 159285167
9-phenyl-N-(3-phenylphenyl)-N-[2-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]carbazol-4-amine
CID 177077824
N-(4-methylphenyl)-9-(3-phenylphenyl)-N-triphenylen-1-ylcarbazol-2-amine;N-(4-methylphenyl)-9-(4-phenylphenyl)-N-triphenylen-1-ylcarbazol-2-amine;N-(4-methylphenyl)-N-triphenylen-1-yl-9-triphenylen-2-ylcarbazol-2-amine
CID 158009729
N-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-N-phenylcarbazol-2-amine;N-phenyl-N,9-bis(4-phenylphenyl)carbazol-4-amine
CID 160619067
N-[4-(9-methylcarbazol-2-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine
CID 177077786
9-(9,9-dimethylfluoren-3-yl)-N-(9-phenylcarbazol-4-yl)-N-(3-phenylphenyl)carbazol-2-amine
CID 170286776
N,9-diphenyl-N-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]carbazol-4-amine
CID 174257716
N-dibenzothiophen-3-yl-9-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-4-amine
CID 177077852
2-N,4-N,4-N-triphenyl-2-N-(9-phenylcarbazol-4-yl)-9-(4-phenylphenyl)carbazole-2,4-diamine
CID 154965850
9-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 90351080
9-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 90351084

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-N-(9-phenylcarbazol-4-yl)-N-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-2-amine?
The IUPAC name of 9-phenyl-N-(9-phenylcarbazol-4-yl)-N-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-2-amine (CID 170286782) is 9-phenyl-N-(9-phenylcarbazol-4-yl)-N-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-2-amine.
What is the SMILES notation for 9-phenyl-N-(9-phenylcarbazol-4-yl)-N-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-2-amine?
The canonical SMILES for 9-phenyl-N-(9-phenylcarbazol-4-yl)-N-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-2-amine is c1ccc(-c2cccc(-n3c4ccccc4c4ccc(N(c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c5cccc6c5c5ccccc5n6-c5ccccc5)cc43)c2)cc1.
What is the InChIKey of 9-phenyl-N-(9-phenylcarbazol-4-yl)-N-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-2-amine?
The InChIKey is AZMIYEJOKPRULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N4/c1-4-18-41(19-5-1)42-20-16-25-45(38-42)64-54-30-14-11-27-49(54)51-37-35-47(40-59(51)64)61(46-34-36-50-48-26-10-13-29-53(48)63(58(50)39-46)44-23-8-3-9-24-44)56-32-17-33-57-60(56)52-28-12-15-31-55(52)62(57)43-21-6-2-7-22-43/h1-40H.
What are the key properties of 9-phenyl-N-(9-phenylcarbazol-4-yl)-N-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-2-amine?
9-phenyl-N-(9-phenylcarbazol-4-yl)-N-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-2-amine has a molecular weight of 817.01 g/mol, XLogP of 16.11, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-N-(9-phenylcarbazol-4-yl)-N-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-2-amine is sourced from PubChem (CID 170286782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).