N-(4-chrysen-6-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-4-amine

C54H36N2 — CID 170138400

IUPACN-(4-chrysen-6-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-4-amine
SMILESc1ccc(-c2cccc(N(c3ccc(-c4cc5c6ccccc6ccc5c5ccccc45)cc3)c3cccc4c3c3ccccc3n4-c3ccccc3)c2)cc1
InChIInChI=1S/C54H36N2/c1-3-15-37(16-4-1)40-18-13-21-43(35-40)55(52-27-14-28-53-54(52)48-25-11-12-26-51(48)56(53)41-19-5-2-6-20-41)42-32-29-39(30-33-42)49-36-50-44-22-8-7-17-38(44)31-34-47(50)45-23-9-10-24-46(45)49/h1-36H
InChIKeyXGAMBZKJHYAEKS-UHFFFAOYSA-N
MW712.90 g/mol
LogP15.05
Rot. Bonds6

About N-(4-chrysen-6-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-4-amine

N-(4-chrysen-6-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-4-amine (PubChem CID 170138400) has the molecular formula C54H36N2 and a molecular weight of 712.90 g/mol. Its IUPAC name is N-(4-chrysen-6-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-4-amine.

Molecular Properties

Compound NameN-(4-chrysen-6-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-4-amine
PubChem CID170138400
Molecular FormulaC54H36N2
Molecular Weight712.90 g/mol
Exact Mass712.29
IUPAC NameN-(4-chrysen-6-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-4-amine
SMILESc1ccc(-c2cccc(N(c3ccc(-c4cc5c6ccccc6ccc5c5ccccc45)cc3)c3cccc4c3c3ccccc3n4-c3ccccc3)c2)cc1
InChIInChI=1S/C54H36N2/c1-3-15-37(16-4-1)40-18-13-21-43(35-40)55(52-27-14-28-53-54(52)48-25-11-12-26-51(48)56(53)41-19-5-2-6-20-41)42-32-29-39(30-33-42)49-36-50-44-22-8-7-17-38(44)31-34-47(50)45-23-9-10-24-46(45)49/h1-36H
InChIKeyXGAMBZKJHYAEKS-UHFFFAOYSA-N
XLogP15.05
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.90
LogP ≤ 515.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-(4-chrysen-6-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine
CID 170138451
N-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine
CID 174258250
N,9-diphenyl-N-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]carbazol-4-amine
CID 174257716
N-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 166659485
2-phenyl-N-[3-(7-phenylbenzo[g]carbazol-9-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 166847702
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-(4-naphthalen-1-ylphenyl)phenyl]-N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]naphthalen-1-amine
CID 167195982
N-[4-(4-chrysen-6-ylphenyl)phenyl]-N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline
CID 170141496
N-phenanthren-2-yl-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-4-amine
CID 172501232
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-1-amine
CID 167195242
N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-[4-(2-phenylphenyl)phenyl]naphthalen-1-amine
CID 166659786
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]phenanthren-1-amine
CID 169062808

Frequently Asked Questions

What is the IUPAC name of N-(4-chrysen-6-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-4-amine?
The IUPAC name of N-(4-chrysen-6-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-4-amine (CID 170138400) is N-(4-chrysen-6-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-4-amine.
What is the SMILES notation for N-(4-chrysen-6-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-4-amine?
The canonical SMILES for N-(4-chrysen-6-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-4-amine is c1ccc(-c2cccc(N(c3ccc(-c4cc5c6ccccc6ccc5c5ccccc45)cc3)c3cccc4c3c3ccccc3n4-c3ccccc3)c2)cc1.
What is the InChIKey of N-(4-chrysen-6-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-4-amine?
The InChIKey is XGAMBZKJHYAEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2/c1-3-15-37(16-4-1)40-18-13-21-43(35-40)55(52-27-14-28-53-54(52)48-25-11-12-26-51(48)56(53)41-19-5-2-6-20-41)42-32-29-39(30-33-42)49-36-50-44-22-8-7-17-38(44)31-34-47(50)45-23-9-10-24-46(45)49/h1-36H.
What are the key properties of N-(4-chrysen-6-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-4-amine?
N-(4-chrysen-6-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-4-amine has a molecular weight of 712.90 g/mol, XLogP of 15.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chrysen-6-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-4-amine is sourced from PubChem (CID 170138400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).