2-[(2-benzo[a]carbazol-11-ylphenyl)methyl]-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline

C57H40N2 — CID 170926582

IUPAC2-[(2-benzo[a]carbazol-11-ylphenyl)methyl]-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccccc3Cc3ccccc3-n3c4ccccc4c4ccc5ccccc5c43)cc2)cc1
InChIInChI=1S/C57H40N2/c1-2-14-40(15-3-1)42-28-33-49(34-29-42)58(50-35-30-43(31-36-50)46-27-26-41-16-4-5-18-45(41)38-46)54-23-11-7-19-47(54)39-48-20-8-12-24-55(48)59-56-25-13-10-22-52(56)53-37-32-44-17-6-9-21-51(44)57(53)59/h1-38H,39H2
InChIKeyUZRLVRLJTONFEL-UHFFFAOYSA-N
MW752.96 g/mol
LogP15.48
Rot. Bonds8

About 2-[(2-benzo[a]carbazol-11-ylphenyl)methyl]-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline

2-[(2-benzo[a]carbazol-11-ylphenyl)methyl]-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline (PubChem CID 170926582) has the molecular formula C57H40N2 and a molecular weight of 752.96 g/mol. Its IUPAC name is 2-[(2-benzo[a]carbazol-11-ylphenyl)methyl]-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name2-[(2-benzo[a]carbazol-11-ylphenyl)methyl]-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline
PubChem CID170926582
Molecular FormulaC57H40N2
Molecular Weight752.96 g/mol
Exact Mass752.32
IUPAC Name2-[(2-benzo[a]carbazol-11-ylphenyl)methyl]-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccccc3Cc3ccccc3-n3c4ccccc4c4ccc5ccccc5c43)cc2)cc1
InChIInChI=1S/C57H40N2/c1-2-14-40(15-3-1)42-28-33-49(34-29-42)58(50-35-30-43(31-36-50)46-27-26-41-16-4-5-18-45(41)38-46)54-23-11-7-19-47(54)39-48-20-8-12-24-55(48)59-56-25-13-10-22-52(56)53-37-32-44-17-6-9-21-51(44)57(53)59/h1-38H,39H2
InChIKeyUZRLVRLJTONFEL-UHFFFAOYSA-N
XLogP15.48
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.96
LogP ≤ 515.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-benzo[a]carbazol-11-yl-N,N-bis(4-phenylphenyl)naphthalen-1-amine
CID 167038449
2-carbazol-9-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-phenylaniline
CID 166566092
N-(4-naphthalen-2-ylphenyl)-11-phenyl-N-(4-phenylphenyl)benzo[a]carbazol-3-amine;N-(4-naphthalen-2-ylphenyl)-11-phenyl-N-(4-phenylphenyl)benzo[a]carbazol-4-amine;N-(4-naphthalen-2-ylphenyl)-11-phenyl-N-(4-phenylphenyl)benzo[a]carbazol-5-amine
CID 159554743
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-2-phenylaniline
CID 167322506
N-(4-benzo[a]carbazol-11-ylphenyl)-7-phenyl-N-(4-phenylphenyl)naphthalen-2-amine
CID 167038330
N-(4-naphthalen-2-ylphenyl)-11-phenyl-N-(4-phenylphenyl)benzo[a]carbazol-1-amine;N-(4-naphthalen-2-ylphenyl)-11-phenyl-N-(4-phenylphenyl)benzo[a]carbazol-2-amine;N-(4-naphthalen-2-ylphenyl)-11-phenyl-N-(4-phenylphenyl)benzo[a]carbazol-3-amine
CID 163713790
N-(4-naphthalen-2-ylphenyl)-N-phenyl-11-(4-phenylphenyl)benzo[a]carbazol-3-amine
CID 155034335
N-(4-naphthalen-2-ylphenyl)-N,11-diphenylbenzo[a]carbazol-10-amine
CID 139571824
N-[4-(6-benzo[a]carbazol-11-ylnaphthalen-2-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline
CID 170363167
N-(4-benzo[a]carbazol-11-ylphenyl)-2-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167038156
N-(2-carbazol-9-ylphenyl)-2,5-dinaphthalen-2-yl-N-(4-phenylphenyl)aniline
CID 167236432
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(2-naphthalen-2-ylphenyl)phenyl]-2-phenylaniline
CID 167322263

Frequently Asked Questions

What is the IUPAC name of 2-[(2-benzo[a]carbazol-11-ylphenyl)methyl]-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline?
The IUPAC name of 2-[(2-benzo[a]carbazol-11-ylphenyl)methyl]-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline (CID 170926582) is 2-[(2-benzo[a]carbazol-11-ylphenyl)methyl]-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 2-[(2-benzo[a]carbazol-11-ylphenyl)methyl]-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline?
The canonical SMILES for 2-[(2-benzo[a]carbazol-11-ylphenyl)methyl]-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccccc3Cc3ccccc3-n3c4ccccc4c4ccc5ccccc5c43)cc2)cc1.
What is the InChIKey of 2-[(2-benzo[a]carbazol-11-ylphenyl)methyl]-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline?
The InChIKey is UZRLVRLJTONFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H40N2/c1-2-14-40(15-3-1)42-28-33-49(34-29-42)58(50-35-30-43(31-36-50)46-27-26-41-16-4-5-18-45(41)38-46)54-23-11-7-19-47(54)39-48-20-8-12-24-55(48)59-56-25-13-10-22-52(56)53-37-32-44-17-6-9-21-51(44)57(53)59/h1-38H,39H2.
What are the key properties of 2-[(2-benzo[a]carbazol-11-ylphenyl)methyl]-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline?
2-[(2-benzo[a]carbazol-11-ylphenyl)methyl]-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline has a molecular weight of 752.96 g/mol, XLogP of 15.48, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-benzo[a]carbazol-11-ylphenyl)methyl]-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 170926582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).