N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]carbazol-9-yl]phenyl]aniline

C54H39N3 — CID 121403668

IUPACN,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]carbazol-9-yl]phenyl]aniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3ccc(-n4c5ccccc5c5c(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)cccc54)cc3)cc2)cc1
InChIInChI=1S/C54H39N3/c1-5-16-43(17-6-1)55(44-18-7-2-8-19-44)47-34-28-40(29-35-47)41-30-36-49(37-31-41)57-52-26-14-13-24-51(52)54-50(25-15-27-53(54)57)42-32-38-48(39-33-42)56(45-20-9-3-10-21-45)46-22-11-4-12-23-46/h1-39H
InChIKeyRCKUEPCSAPROGJ-UHFFFAOYSA-N
MW729.93 g/mol
LogP15.06
Rot. Bonds9

About N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]carbazol-9-yl]phenyl]aniline

N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]carbazol-9-yl]phenyl]aniline (PubChem CID 121403668) has the molecular formula C54H39N3 and a molecular weight of 729.93 g/mol. Its IUPAC name is N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]carbazol-9-yl]phenyl]aniline.

Molecular Properties

Compound NameN,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]carbazol-9-yl]phenyl]aniline
PubChem CID121403668
Molecular FormulaC54H39N3
Molecular Weight729.93 g/mol
Exact Mass729.31
IUPAC NameN,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]carbazol-9-yl]phenyl]aniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3ccc(-n4c5ccccc5c5c(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)cccc54)cc3)cc2)cc1
InChIInChI=1S/C54H39N3/c1-5-16-43(17-6-1)55(44-18-7-2-8-19-44)47-34-28-40(29-35-47)41-30-36-49(37-31-41)57-52-26-14-13-24-51(52)54-50(25-15-27-53(54)57)42-32-38-48(39-33-42)56(45-20-9-3-10-21-45)46-22-11-4-12-23-46/h1-39H
InChIKeyRCKUEPCSAPROGJ-UHFFFAOYSA-N
XLogP15.06
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.93
LogP ≤ 515.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diphenyl-4-[4-[4-[4-[4-(N-phenylanilino)phenyl]carbazol-9-yl]phenyl]phenyl]aniline
CID 121403671
3-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 166660074
5,9-diphenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-(3-phenylphenyl)carbazol-2-amine
CID 169009961
4-[8-(4-carbazol-9-ylphenyl)naphthalen-1-yl]-N,N-diphenylaniline
CID 169016142
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-[3-(4-carbazol-9-ylphenyl)phenyl]-N,N-diphenyl-5-(9-phenylcarbazol-4-yl)aniline
CID 144888422
4-(5,9-diphenylcarbazol-2-yl)-N,N-diphenylaniline
CID 169010334
4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 160833805
N,4-bis(4-carbazol-9-ylphenyl)-N-phenylaniline
CID 90296019
4-(4-carbazol-9-ylphenyl)-N,N-bis[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170379939

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]carbazol-9-yl]phenyl]aniline?
The IUPAC name of N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]carbazol-9-yl]phenyl]aniline (CID 121403668) is N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]carbazol-9-yl]phenyl]aniline.
What is the SMILES notation for N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]carbazol-9-yl]phenyl]aniline?
The canonical SMILES for N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]carbazol-9-yl]phenyl]aniline is c1ccc(N(c2ccccc2)c2ccc(-c3ccc(-n4c5ccccc5c5c(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)cccc54)cc3)cc2)cc1.
What is the InChIKey of N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]carbazol-9-yl]phenyl]aniline?
The InChIKey is RCKUEPCSAPROGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H39N3/c1-5-16-43(17-6-1)55(44-18-7-2-8-19-44)47-34-28-40(29-35-47)41-30-36-49(37-31-41)57-52-26-14-13-24-51(52)54-50(25-15-27-53(54)57)42-32-38-48(39-33-42)56(45-20-9-3-10-21-45)46-22-11-4-12-23-46/h1-39H.
What are the key properties of N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]carbazol-9-yl]phenyl]aniline?
N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]carbazol-9-yl]phenyl]aniline has a molecular weight of 729.93 g/mol, XLogP of 15.06, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]carbazol-9-yl]phenyl]aniline is sourced from PubChem (CID 121403668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).