9-(6,8-diphenylpyren-1-yl)carbazole

C40H25N — CID 90336849

IUPAC9-(6,8-diphenylpyren-1-yl)carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)c3ccc4c(-n5c6ccccc6c6ccccc65)ccc5ccc2c3c54)cc1
InChIInChI=1S/C40H25N/c1-3-11-26(12-4-1)34-25-35(27-13-5-2-6-14-27)32-22-23-33-38(24-20-28-19-21-31(34)40(32)39(28)33)41-36-17-9-7-15-29(36)30-16-8-10-18-37(30)41/h1-25H
InChIKeyDKSOTUKPAPCVQX-UHFFFAOYSA-N
MW519.65 g/mol
LogP11.02
Rot. Bonds3

About 9-(6,8-diphenylpyren-1-yl)carbazole

9-(6,8-diphenylpyren-1-yl)carbazole (PubChem CID 90336849) has the molecular formula C40H25N and a molecular weight of 519.65 g/mol. Its IUPAC name is 9-(6,8-diphenylpyren-1-yl)carbazole.

Molecular Properties

Compound Name9-(6,8-diphenylpyren-1-yl)carbazole
PubChem CID90336849
Molecular FormulaC40H25N
Molecular Weight519.65 g/mol
Exact Mass519.20
IUPAC Name9-(6,8-diphenylpyren-1-yl)carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)c3ccc4c(-n5c6ccccc6c6ccccc65)ccc5ccc2c3c54)cc1
InChIInChI=1S/C40H25N/c1-3-11-26(12-4-1)34-25-35(27-13-5-2-6-14-27)32-22-23-33-38(24-20-28-19-21-31(34)40(32)39(28)33)41-36-17-9-7-15-29(36)30-16-8-10-18-37(30)41/h1-25H
InChIKeyDKSOTUKPAPCVQX-UHFFFAOYSA-N
XLogP11.02
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.65
LogP ≤ 511.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

7-phenyl-5-[6-[4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]pyren-1-yl]indolo[2,3-b]carbazole
CID 118516736
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-(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
6-carbazol-9-yl-N-(2,6-diphenylphenyl)-N-[2-(4-phenylphenyl)phenyl]pyren-1-amine
CID 167415367
16-carbazol-9-yl-3-phenyl-3-azahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15,17,19(23),20-undecaene
CID 90381333
1,3,6-tris(4-phenylphenyl)pyrene
CID 123689600
N-(4-tert-butyl-2,6-diphenylphenyl)-6-carbazol-9-yl-N-(3,5-ditert-butylphenyl)pyren-1-amine
CID 167414816
6-carbazol-9-yl-N-phenyl-N-[3-(4-phenylphenyl)phenyl]pyren-1-amine
CID 167414887
6-carbazol-9-yl-N-(3,5-ditert-butylphenyl)-N-(2,5-ditert-butyl-4-phenylphenyl)pyren-1-amine
CID 167415070

Frequently Asked Questions

What is the IUPAC name of 9-(6,8-diphenylpyren-1-yl)carbazole?
The IUPAC name of 9-(6,8-diphenylpyren-1-yl)carbazole (CID 90336849) is 9-(6,8-diphenylpyren-1-yl)carbazole.
What is the SMILES notation for 9-(6,8-diphenylpyren-1-yl)carbazole?
The canonical SMILES for 9-(6,8-diphenylpyren-1-yl)carbazole is c1ccc(-c2cc(-c3ccccc3)c3ccc4c(-n5c6ccccc6c6ccccc65)ccc5ccc2c3c54)cc1.
What is the InChIKey of 9-(6,8-diphenylpyren-1-yl)carbazole?
The InChIKey is DKSOTUKPAPCVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25N/c1-3-11-26(12-4-1)34-25-35(27-13-5-2-6-14-27)32-22-23-33-38(24-20-28-19-21-31(34)40(32)39(28)33)41-36-17-9-7-15-29(36)30-16-8-10-18-37(30)41/h1-25H.
What are the key properties of 9-(6,8-diphenylpyren-1-yl)carbazole?
9-(6,8-diphenylpyren-1-yl)carbazole has a molecular weight of 519.65 g/mol, XLogP of 11.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6,8-diphenylpyren-1-yl)carbazole is sourced from PubChem (CID 90336849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).