9-phenyl-N-(4-phenylphenyl)-N-[4-[3-phenyl-5-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazol-4-amine

C66H45N3 — CID 176878123

IUPAC9-phenyl-N-(4-phenylphenyl)-N-[4-[3-phenyl-5-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazol-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cc(-c5ccccc5)cc(-c5cccc6c5c5ccccc5n6-c5ccccc5)c4)cc3)c3cccc4c3c3ccccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C66H45N3/c1-5-19-46(20-6-1)48-35-39-55(40-36-48)67(63-33-18-34-64-66(63)59-28-14-16-31-61(59)69(64)54-25-11-4-12-26-54)56-41-37-49(38-42-56)51-43-50(47-21-7-2-8-22-47)44-52(45-51)57-29-17-32-62-65(57)58-27-13-15-30-60(58)68(62)53-23-9-3-10-24-53/h1-45H
InChIKeyREJRPKKGTDJPBN-UHFFFAOYSA-N
MW880.11 g/mol
LogP18.02
Rot. Bonds9

About 9-phenyl-N-(4-phenylphenyl)-N-[4-[3-phenyl-5-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazol-4-amine

9-phenyl-N-(4-phenylphenyl)-N-[4-[3-phenyl-5-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazol-4-amine (PubChem CID 176878123) has the molecular formula C66H45N3 and a molecular weight of 880.11 g/mol. Its IUPAC name is 9-phenyl-N-(4-phenylphenyl)-N-[4-[3-phenyl-5-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazol-4-amine.

Molecular Properties

Compound Name9-phenyl-N-(4-phenylphenyl)-N-[4-[3-phenyl-5-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazol-4-amine
PubChem CID176878123
Molecular FormulaC66H45N3
Molecular Weight880.11 g/mol
Exact Mass879.36
IUPAC Name9-phenyl-N-(4-phenylphenyl)-N-[4-[3-phenyl-5-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazol-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cc(-c5ccccc5)cc(-c5cccc6c5c5ccccc5n6-c5ccccc5)c4)cc3)c3cccc4c3c3ccccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C66H45N3/c1-5-19-46(20-6-1)48-35-39-55(40-36-48)67(63-33-18-34-64-66(63)59-28-14-16-31-61(59)69(64)54-25-11-4-12-26-54)56-41-37-49(38-42-56)51-43-50(47-21-7-2-8-22-47)44-52(45-51)57-29-17-32-62-65(57)58-27-13-15-30-60(58)68(62)53-23-9-3-10-24-53/h1-45H
InChIKeyREJRPKKGTDJPBN-UHFFFAOYSA-N
XLogP18.02
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500880.11
LogP ≤ 518.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenyl-2-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166659568
N,N-bis(4-phenylphenyl)-2-[3-[9-(4-phenylphenyl)carbazol-4-yl]phenyl]aniline
CID 167196113
9-phenyl-N-[3-[4-[3-[N-(9-phenylcarbazol-4-yl)-4-[3-[2-phenyl-5-[4-(9-phenylcarbazol-4-yl)-N-[3-[4-[3-(4-phenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]anilino)phenyl]phenyl]phenyl]anilino]phenyl]phenyl]anilino]phenyl]phenyl]phenyl]-N-(4-phenylphenyl)carbazol-4-amine
CID 163910483
3-[3-(4-carbazol-9-ylphenyl)phenyl]-N,N-diphenyl-5-(9-phenylcarbazol-4-yl)aniline
CID 144888422
N-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 166659485
N-(4-naphthalen-1-ylphenyl)-2-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167196149
N-[4-[3-naphthalen-2-yl-5-(9-phenylcarbazol-4-yl)phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 176878181
N-[4-(3,5-diphenylphenyl)phenyl]-3,5-diphenyl-N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]aniline
CID 167195663
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
N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]carbazol-4-amine
CID 168835696

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-N-(4-phenylphenyl)-N-[4-[3-phenyl-5-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazol-4-amine?
The IUPAC name of 9-phenyl-N-(4-phenylphenyl)-N-[4-[3-phenyl-5-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazol-4-amine (CID 176878123) is 9-phenyl-N-(4-phenylphenyl)-N-[4-[3-phenyl-5-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazol-4-amine.
What is the SMILES notation for 9-phenyl-N-(4-phenylphenyl)-N-[4-[3-phenyl-5-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazol-4-amine?
The canonical SMILES for 9-phenyl-N-(4-phenylphenyl)-N-[4-[3-phenyl-5-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazol-4-amine is c1ccc(-c2ccc(N(c3ccc(-c4cc(-c5ccccc5)cc(-c5cccc6c5c5ccccc5n6-c5ccccc5)c4)cc3)c3cccc4c3c3ccccc3n4-c3ccccc3)cc2)cc1.
What is the InChIKey of 9-phenyl-N-(4-phenylphenyl)-N-[4-[3-phenyl-5-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazol-4-amine?
The InChIKey is REJRPKKGTDJPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H45N3/c1-5-19-46(20-6-1)48-35-39-55(40-36-48)67(63-33-18-34-64-66(63)59-28-14-16-31-61(59)69(64)54-25-11-4-12-26-54)56-41-37-49(38-42-56)51-43-50(47-21-7-2-8-22-47)44-52(45-51)57-29-17-32-62-65(57)58-27-13-15-30-60(58)68(62)53-23-9-3-10-24-53/h1-45H.
What are the key properties of 9-phenyl-N-(4-phenylphenyl)-N-[4-[3-phenyl-5-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazol-4-amine?
9-phenyl-N-(4-phenylphenyl)-N-[4-[3-phenyl-5-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazol-4-amine has a molecular weight of 880.11 g/mol, XLogP of 18.02, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-N-(4-phenylphenyl)-N-[4-[3-phenyl-5-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazol-4-amine is sourced from PubChem (CID 176878123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).