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

C64H42N2 — CID 167415381

IUPAC6-carbazol-9-yl-N,N-bis[2-(2-phenylphenyl)phenyl]pyren-1-amine
SMILESc1ccc(-c2ccccc2-c2ccccc2N(c2ccccc2-c2ccccc2-c2ccccc2)c2ccc3ccc4c(-n5c6ccccc6c6ccccc65)ccc5ccc2c3c54)cc1
InChIInChI=1S/C64H42N2/c1-3-19-43(20-4-1)47-23-7-9-25-49(47)51-27-11-15-31-57(51)65(58-32-16-12-28-52(58)50-26-10-8-24-48(50)44-21-5-2-6-22-44)61-41-37-45-36-40-56-62(42-38-46-35-39-55(61)63(45)64(46)56)66-59-33-17-13-29-53(59)54-30-14-18-34-60(54)66/h1-42H
InChIKeyDKOMDXJEOCLYBU-UHFFFAOYSA-N
MW839.05 g/mol
LogP17.82
Rot. Bonds8

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

6-carbazol-9-yl-N,N-bis[2-(2-phenylphenyl)phenyl]pyren-1-amine (PubChem CID 167415381) has the molecular formula C64H42N2 and a molecular weight of 839.05 g/mol. Its IUPAC name is 6-carbazol-9-yl-N,N-bis[2-(2-phenylphenyl)phenyl]pyren-1-amine.

Molecular Properties

Compound Name6-carbazol-9-yl-N,N-bis[2-(2-phenylphenyl)phenyl]pyren-1-amine
PubChem CID167415381
Molecular FormulaC64H42N2
Molecular Weight839.05 g/mol
Exact Mass838.33
IUPAC Name6-carbazol-9-yl-N,N-bis[2-(2-phenylphenyl)phenyl]pyren-1-amine
SMILESc1ccc(-c2ccccc2-c2ccccc2N(c2ccccc2-c2ccccc2-c2ccccc2)c2ccc3ccc4c(-n5c6ccccc6c6ccccc65)ccc5ccc2c3c54)cc1
InChIInChI=1S/C64H42N2/c1-3-19-43(20-4-1)47-23-7-9-25-49(47)51-27-11-15-31-57(51)65(58-32-16-12-28-52(58)50-26-10-8-24-48(50)44-21-5-2-6-22-44)61-41-37-45-36-40-56-62(42-38-46-35-39-55(61)63(45)64(46)56)66-59-33-17-13-29-53(59)54-30-14-18-34-60(54)66/h1-42H
InChIKeyDKOMDXJEOCLYBU-UHFFFAOYSA-N
XLogP17.82
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500839.05
LogP ≤ 517.82
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-[4-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]pyren-1-amine
CID 167415666
6-carbazol-9-yl-N-(2,6-diphenylphenyl)-N-[2-(4-phenylphenyl)phenyl]pyren-1-amine
CID 167415367
6-carbazol-9-yl-N-(2-phenylphenyl)-N-[3-(2-phenylphenyl)phenyl]pyren-1-amine
CID 167414828
6-carbazol-9-yl-N-(3,5-diphenylphenyl)-N-[2-(4-phenylphenyl)phenyl]pyren-1-amine
CID 167415682
6-carbazol-9-yl-N-[4-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]pyren-1-amine
CID 167415263
9-(6,8-diphenylpyren-1-yl)carbazole
CID 90336849
N-[5-tert-butyl-2-[2-(4-tert-butylphenyl)phenyl]phenyl]-N-[4-tert-butyl-2-[3-(3,5-ditert-butylphenyl)phenyl]phenyl]-6-carbazol-9-ylpyren-1-amine
CID 167415951
6-carbazol-9-yl-N-phenyl-N-[3-(4-phenylphenyl)phenyl]pyren-1-amine
CID 167414887
N-(2-carbazol-9-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 172502297
N-(4-tert-butyl-2,6-diphenylphenyl)-6-carbazol-9-yl-N-(3,5-ditert-butylphenyl)pyren-1-amine
CID 167414816
N-[5-tert-butyl-2-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]phenyl]-N-(4-tert-butylphenyl)-6-carbazol-9-ylpyren-1-amine
CID 167415624
N-[2-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine
CID 168809021

Frequently Asked Questions

What is the IUPAC name of 6-carbazol-9-yl-N,N-bis[2-(2-phenylphenyl)phenyl]pyren-1-amine?
The IUPAC name of 6-carbazol-9-yl-N,N-bis[2-(2-phenylphenyl)phenyl]pyren-1-amine (CID 167415381) is 6-carbazol-9-yl-N,N-bis[2-(2-phenylphenyl)phenyl]pyren-1-amine.
What is the SMILES notation for 6-carbazol-9-yl-N,N-bis[2-(2-phenylphenyl)phenyl]pyren-1-amine?
The canonical SMILES for 6-carbazol-9-yl-N,N-bis[2-(2-phenylphenyl)phenyl]pyren-1-amine is c1ccc(-c2ccccc2-c2ccccc2N(c2ccccc2-c2ccccc2-c2ccccc2)c2ccc3ccc4c(-n5c6ccccc6c6ccccc65)ccc5ccc2c3c54)cc1.
What is the InChIKey of 6-carbazol-9-yl-N,N-bis[2-(2-phenylphenyl)phenyl]pyren-1-amine?
The InChIKey is DKOMDXJEOCLYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N2/c1-3-19-43(20-4-1)47-23-7-9-25-49(47)51-27-11-15-31-57(51)65(58-32-16-12-28-52(58)50-26-10-8-24-48(50)44-21-5-2-6-22-44)61-41-37-45-36-40-56-62(42-38-46-35-39-55(61)63(45)64(46)56)66-59-33-17-13-29-53(59)54-30-14-18-34-60(54)66/h1-42H.
What are the key properties of 6-carbazol-9-yl-N,N-bis[2-(2-phenylphenyl)phenyl]pyren-1-amine?
6-carbazol-9-yl-N,N-bis[2-(2-phenylphenyl)phenyl]pyren-1-amine has a molecular weight of 839.05 g/mol, XLogP of 17.82, 8 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,N-bis[2-(2-phenylphenyl)phenyl]pyren-1-amine is sourced from PubChem (CID 167415381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).