6-carbazol-9-yl-N-(2-phenylphenyl)-N-[3-(2-phenylphenyl)phenyl]pyren-1-amine

C58H38N2 — CID 167414828

IUPAC6-carbazol-9-yl-N-(2-phenylphenyl)-N-[3-(2-phenylphenyl)phenyl]pyren-1-amine
SMILESc1ccc(-c2ccccc2-c2cccc(N(c3ccccc3-c3ccccc3)c3ccc4ccc5c(-n6c7ccccc7c7ccccc76)ccc6ccc3c4c65)c2)cc1
InChIInChI=1S/C58H38N2/c1-3-16-39(17-4-1)45-22-7-8-23-46(45)43-20-15-21-44(38-43)59(52-27-12-9-24-47(52)40-18-5-2-6-19-40)55-36-32-41-31-35-51-56(37-33-42-30-34-50(55)57(41)58(42)51)60-53-28-13-10-25-48(53)49-26-11-14-29-54(49)60/h1-38H
InChIKeyHLAOBSHJIBCAET-UHFFFAOYSA-N
MW762.96 g/mol
LogP16.15
Rot. Bonds7

About 6-carbazol-9-yl-N-(2-phenylphenyl)-N-[3-(2-phenylphenyl)phenyl]pyren-1-amine

6-carbazol-9-yl-N-(2-phenylphenyl)-N-[3-(2-phenylphenyl)phenyl]pyren-1-amine (PubChem CID 167414828) has the molecular formula C58H38N2 and a molecular weight of 762.96 g/mol. Its IUPAC name is 6-carbazol-9-yl-N-(2-phenylphenyl)-N-[3-(2-phenylphenyl)phenyl]pyren-1-amine.

Molecular Properties

Compound Name6-carbazol-9-yl-N-(2-phenylphenyl)-N-[3-(2-phenylphenyl)phenyl]pyren-1-amine
PubChem CID167414828
Molecular FormulaC58H38N2
Molecular Weight762.96 g/mol
Exact Mass762.30
IUPAC Name6-carbazol-9-yl-N-(2-phenylphenyl)-N-[3-(2-phenylphenyl)phenyl]pyren-1-amine
SMILESc1ccc(-c2ccccc2-c2cccc(N(c3ccccc3-c3ccccc3)c3ccc4ccc5c(-n6c7ccccc7c7ccccc76)ccc6ccc3c4c65)c2)cc1
InChIInChI=1S/C58H38N2/c1-3-16-39(17-4-1)45-22-7-8-23-46(45)43-20-15-21-44(38-43)59(52-27-12-9-24-47(52)40-18-5-2-6-19-40)55-36-32-41-31-35-51-56(37-33-42-30-34-50(55)57(41)58(42)51)60-53-28-13-10-25-48(53)49-26-11-14-29-54(49)60/h1-38H
InChIKeyHLAOBSHJIBCAET-UHFFFAOYSA-N
XLogP16.15
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.96
LogP ≤ 516.15
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

6-carbazol-9-yl-N-(3,5-diphenylphenyl)-N-[2-(4-phenylphenyl)phenyl]pyren-1-amine
CID 167415682
6-carbazol-9-yl-N,N-bis[2-(2-phenylphenyl)phenyl]pyren-1-amine
CID 167415381
6-carbazol-9-yl-N-(2,6-diphenylphenyl)-N-[2-(4-phenylphenyl)phenyl]pyren-1-amine
CID 167415367
6-carbazol-9-yl-N-phenyl-N-[3-(4-phenylphenyl)phenyl]pyren-1-amine
CID 167414887
6-carbazol-9-yl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]pyren-1-amine
CID 167415666
N-[4-tert-butyl-2-[3-(3,5-ditert-butylphenyl)phenyl]phenyl]-6-(3,6-ditert-butylcarbazol-9-yl)-N-[3-(2-phenylphenyl)phenyl]pyren-1-amine
CID 167415297
6-carbazol-9-yl-N-[4-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]pyren-1-amine
CID 167415263
N-(4-tert-butyl-2-phenylphenyl)-6-(3,6-ditert-butylcarbazol-9-yl)-N-(3-phenylphenyl)pyren-1-amine
CID 167414928
6-(3,6-ditert-butylcarbazol-9-yl)-N-(2-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]pyren-1-amine
CID 167415011
6-carbazol-9-yl-N,N-bis[3-(3,5-ditert-butylphenyl)phenyl]pyren-1-amine
CID 167415185
N-(3-tert-butyl-5-phenylphenyl)-6-carbazol-9-yl-N-(3-phenylphenyl)pyren-1-amine
CID 167415378
N-[4-[2-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N,2-diphenylaniline
CID 118103122

Frequently Asked Questions

What is the IUPAC name of 6-carbazol-9-yl-N-(2-phenylphenyl)-N-[3-(2-phenylphenyl)phenyl]pyren-1-amine?
The IUPAC name of 6-carbazol-9-yl-N-(2-phenylphenyl)-N-[3-(2-phenylphenyl)phenyl]pyren-1-amine (CID 167414828) is 6-carbazol-9-yl-N-(2-phenylphenyl)-N-[3-(2-phenylphenyl)phenyl]pyren-1-amine.
What is the SMILES notation for 6-carbazol-9-yl-N-(2-phenylphenyl)-N-[3-(2-phenylphenyl)phenyl]pyren-1-amine?
The canonical SMILES for 6-carbazol-9-yl-N-(2-phenylphenyl)-N-[3-(2-phenylphenyl)phenyl]pyren-1-amine is c1ccc(-c2ccccc2-c2cccc(N(c3ccccc3-c3ccccc3)c3ccc4ccc5c(-n6c7ccccc7c7ccccc76)ccc6ccc3c4c65)c2)cc1.
What is the InChIKey of 6-carbazol-9-yl-N-(2-phenylphenyl)-N-[3-(2-phenylphenyl)phenyl]pyren-1-amine?
The InChIKey is HLAOBSHJIBCAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N2/c1-3-16-39(17-4-1)45-22-7-8-23-46(45)43-20-15-21-44(38-43)59(52-27-12-9-24-47(52)40-18-5-2-6-19-40)55-36-32-41-31-35-51-56(37-33-42-30-34-50(55)57(41)58(42)51)60-53-28-13-10-25-48(53)49-26-11-14-29-54(49)60/h1-38H.
What are the key properties of 6-carbazol-9-yl-N-(2-phenylphenyl)-N-[3-(2-phenylphenyl)phenyl]pyren-1-amine?
6-carbazol-9-yl-N-(2-phenylphenyl)-N-[3-(2-phenylphenyl)phenyl]pyren-1-amine has a molecular weight of 762.96 g/mol, XLogP of 16.15, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-carbazol-9-yl-N-(2-phenylphenyl)-N-[3-(2-phenylphenyl)phenyl]pyren-1-amine is sourced from PubChem (CID 167414828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).