6-carbazol-9-yl-N-(2,6-diphenylphenyl)-N-[2-(4-phenylphenyl)phenyl]pyren-1-amine

C64H42N2 — CID 167415367

IUPAC6-carbazol-9-yl-N-(2,6-diphenylphenyl)-N-[2-(4-phenylphenyl)phenyl]pyren-1-amine
SMILESc1ccc(-c2ccc(-c3ccccc3N(c3c(-c4ccccc4)cccc3-c3ccccc3)c3ccc4ccc5c(-n6c7ccccc7c7ccccc76)ccc6ccc3c4c65)cc2)cc1
InChIInChI=1S/C64H42N2/c1-4-17-43(18-5-1)44-31-33-47(34-32-44)50-23-10-13-28-57(50)66(64-51(45-19-6-2-7-20-45)26-16-27-52(64)46-21-8-3-9-22-46)61-42-38-49-35-39-55-60(41-37-48-36-40-56(61)63(49)62(48)55)65-58-29-14-11-24-53(58)54-25-12-15-30-59(54)65/h1-42H
InChIKeyPZPUPJYUWINEIS-UHFFFAOYSA-N
MW839.05 g/mol
LogP17.82
Rot. Bonds8

About 6-carbazol-9-yl-N-(2,6-diphenylphenyl)-N-[2-(4-phenylphenyl)phenyl]pyren-1-amine

6-carbazol-9-yl-N-(2,6-diphenylphenyl)-N-[2-(4-phenylphenyl)phenyl]pyren-1-amine (PubChem CID 167415367) has the molecular formula C64H42N2 and a molecular weight of 839.05 g/mol. Its IUPAC name is 6-carbazol-9-yl-N-(2,6-diphenylphenyl)-N-[2-(4-phenylphenyl)phenyl]pyren-1-amine.

Molecular Properties

Compound Name6-carbazol-9-yl-N-(2,6-diphenylphenyl)-N-[2-(4-phenylphenyl)phenyl]pyren-1-amine
PubChem CID167415367
Molecular FormulaC64H42N2
Molecular Weight839.05 g/mol
Exact Mass838.33
IUPAC Name6-carbazol-9-yl-N-(2,6-diphenylphenyl)-N-[2-(4-phenylphenyl)phenyl]pyren-1-amine
SMILESc1ccc(-c2ccc(-c3ccccc3N(c3c(-c4ccccc4)cccc3-c3ccccc3)c3ccc4ccc5c(-n6c7ccccc7c7ccccc76)ccc6ccc3c4c65)cc2)cc1
InChIInChI=1S/C64H42N2/c1-4-17-43(18-5-1)44-31-33-47(34-32-44)50-23-10-13-28-57(50)66(64-51(45-19-6-2-7-20-45)26-16-27-52(64)46-21-8-3-9-22-46)61-42-38-49-35-39-55-60(41-37-48-36-40-56(61)63(49)62(48)55)65-58-29-14-11-24-53(58)54-25-12-15-30-59(54)65/h1-42H
InChIKeyPZPUPJYUWINEIS-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-(3,5-diphenylphenyl)-N-[2-(4-phenylphenyl)phenyl]pyren-1-amine
CID 167415682
6-carbazol-9-yl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]pyren-1-amine
CID 167415666
6-carbazol-9-yl-N,N-bis[2-(2-phenylphenyl)phenyl]pyren-1-amine
CID 167415381
6-carbazol-9-yl-N-(2-phenylphenyl)-N-[3-(2-phenylphenyl)phenyl]pyren-1-amine
CID 167414828
6-carbazol-9-yl-N-[4-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]pyren-1-amine
CID 167415263
6-carbazol-9-yl-N-phenyl-N-[3-(4-phenylphenyl)phenyl]pyren-1-amine
CID 167414887
N-[2,6-bis(4-tert-butylphenyl)phenyl]-6-(3,6-ditert-butylcarbazol-9-yl)-N-[2-(3,5-ditert-butylphenyl)phenyl]pyren-1-amine
CID 167415660
6-(3,6-ditert-butylcarbazol-9-yl)-N-(2-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]pyren-1-amine
CID 167415011
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-2-(4-phenylphenyl)aniline
CID 142416169
N-(4-tert-butyl-2,6-diphenylphenyl)-6-carbazol-9-yl-N-(3,5-ditert-butylphenyl)pyren-1-amine
CID 167414816
9-(6,8-diphenylpyren-1-yl)carbazole
CID 90336849
6-carbazol-9-yl-N-(3,5-ditert-butylphenyl)-N-(4-phenylphenyl)pyren-1-amine
CID 167414871

Frequently Asked Questions

What is the IUPAC name of 6-carbazol-9-yl-N-(2,6-diphenylphenyl)-N-[2-(4-phenylphenyl)phenyl]pyren-1-amine?
The IUPAC name of 6-carbazol-9-yl-N-(2,6-diphenylphenyl)-N-[2-(4-phenylphenyl)phenyl]pyren-1-amine (CID 167415367) is 6-carbazol-9-yl-N-(2,6-diphenylphenyl)-N-[2-(4-phenylphenyl)phenyl]pyren-1-amine.
What is the SMILES notation for 6-carbazol-9-yl-N-(2,6-diphenylphenyl)-N-[2-(4-phenylphenyl)phenyl]pyren-1-amine?
The canonical SMILES for 6-carbazol-9-yl-N-(2,6-diphenylphenyl)-N-[2-(4-phenylphenyl)phenyl]pyren-1-amine is c1ccc(-c2ccc(-c3ccccc3N(c3c(-c4ccccc4)cccc3-c3ccccc3)c3ccc4ccc5c(-n6c7ccccc7c7ccccc76)ccc6ccc3c4c65)cc2)cc1.
What is the InChIKey of 6-carbazol-9-yl-N-(2,6-diphenylphenyl)-N-[2-(4-phenylphenyl)phenyl]pyren-1-amine?
The InChIKey is PZPUPJYUWINEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N2/c1-4-17-43(18-5-1)44-31-33-47(34-32-44)50-23-10-13-28-57(50)66(64-51(45-19-6-2-7-20-45)26-16-27-52(64)46-21-8-3-9-22-46)61-42-38-49-35-39-55-60(41-37-48-36-40-56(61)63(49)62(48)55)65-58-29-14-11-24-53(58)54-25-12-15-30-59(54)65/h1-42H.
What are the key properties of 6-carbazol-9-yl-N-(2,6-diphenylphenyl)-N-[2-(4-phenylphenyl)phenyl]pyren-1-amine?
6-carbazol-9-yl-N-(2,6-diphenylphenyl)-N-[2-(4-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-(2,6-diphenylphenyl)-N-[2-(4-phenylphenyl)phenyl]pyren-1-amine is sourced from PubChem (CID 167415367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).