3-(6-phenylpyren-1-yl)-9H-carbazole

C34H21N — CID 134424912

IUPAC3-(6-phenylpyren-1-yl)-9H-carbazole
SMILESc1ccc(-c2ccc3ccc4c(-c5ccc6[nH]c7ccccc7c6c5)ccc5ccc2c3c54)cc1
InChIInChI=1S/C34H21N/c1-2-6-21(7-3-1)25-15-10-22-13-18-29-26(16-11-23-12-17-28(25)33(22)34(23)29)24-14-19-32-30(20-24)27-8-4-5-9-31(27)35-32/h1-20,35H
InChIKeyYMSHLHLTAQPJMO-UHFFFAOYSA-N
MW443.55 g/mol
LogP9.55
Rot. Bonds2

About 3-(6-phenylpyren-1-yl)-9H-carbazole

3-(6-phenylpyren-1-yl)-9H-carbazole (PubChem CID 134424912) has the molecular formula C34H21N and a molecular weight of 443.55 g/mol. Its IUPAC name is 3-(6-phenylpyren-1-yl)-9H-carbazole.

Molecular Properties

Compound Name3-(6-phenylpyren-1-yl)-9H-carbazole
PubChem CID134424912
Molecular FormulaC34H21N
Molecular Weight443.55 g/mol
Exact Mass443.17
IUPAC Name3-(6-phenylpyren-1-yl)-9H-carbazole
SMILESc1ccc(-c2ccc3ccc4c(-c5ccc6[nH]c7ccccc7c6c5)ccc5ccc2c3c54)cc1
InChIInChI=1S/C34H21N/c1-2-6-21(7-3-1)25-15-10-22-13-18-29-26(16-11-23-12-17-28(25)33(22)34(23)29)24-14-19-32-30(20-24)27-8-4-5-9-31(27)35-32/h1-20,35H
InChIKeyYMSHLHLTAQPJMO-UHFFFAOYSA-N
XLogP9.55
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.55
LogP ≤ 59.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3-(6-phenylpyren-1-yl)-9H-carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[6-(9H-carbazol-3-yl)pyren-1-yl]-9,9-diethyl-N,N-diphenylfluoren-2-amine
CID 90128204
1,3,6-tris(4-phenylphenyl)pyrene
CID 123689600
3-naphthalen-1-yl-6-phenyl-9H-carbazole
CID 118099289
2-(2,5-diphenylphenyl)-9H-carbazole
CID 177269985
2-(6-phenylpyren-1-yl)-8-pyren-1-yldibenzothiophene
CID 59758450
2-[3-(6-phenylpyren-1-yl)phenyl]dibenzothiophene
CID 59758526
1-[3-phenyl-4-(4-pyren-1-ylphenyl)phenyl]pyrene
CID 59775997
1-[4-(4-phenylphenyl)naphthalen-1-yl]pyrene
CID 156656874
1-(2-phenyl-5-pyren-1-ylphenyl)pyrene
CID 156656853
6-(4-fluorophenyl)-1,3-diphenylpyrene
CID 90336828
1-[3-[3-phenyl-5-(3-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-[4-[3-phenyl-5-(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-[3-[4-(3-pyren-1-ylphenyl)phenyl]phenyl]pyrene
CID 167610604
3-(5-phenylindeno[1,2-b]inden-10-yl)-9H-carbazole
CID 90180362

Frequently Asked Questions

What is the IUPAC name of 3-(6-phenylpyren-1-yl)-9H-carbazole?
The IUPAC name of 3-(6-phenylpyren-1-yl)-9H-carbazole (CID 134424912) is 3-(6-phenylpyren-1-yl)-9H-carbazole.
What is the SMILES notation for 3-(6-phenylpyren-1-yl)-9H-carbazole?
The canonical SMILES for 3-(6-phenylpyren-1-yl)-9H-carbazole is c1ccc(-c2ccc3ccc4c(-c5ccc6[nH]c7ccccc7c6c5)ccc5ccc2c3c54)cc1.
What is the InChIKey of 3-(6-phenylpyren-1-yl)-9H-carbazole?
The InChIKey is YMSHLHLTAQPJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H21N/c1-2-6-21(7-3-1)25-15-10-22-13-18-29-26(16-11-23-12-17-28(25)33(22)34(23)29)24-14-19-32-30(20-24)27-8-4-5-9-31(27)35-32/h1-20,35H.
What are the key properties of 3-(6-phenylpyren-1-yl)-9H-carbazole?
3-(6-phenylpyren-1-yl)-9H-carbazole has a molecular weight of 443.55 g/mol, XLogP of 9.55, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-phenylpyren-1-yl)-9H-carbazole is sourced from PubChem (CID 134424912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).