9-prop-2-enyl-3,6-di(pyren-1-yl)carbazole

C47H29N — CID 132916036

IUPAC9-prop-2-enyl-3,6-di(pyren-1-yl)carbazole
SMILESC=CCn1c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc2c2cc(-c3ccc4ccc5cccc6ccc3c4c56)ccc21
InChIInChI=1S/C47H29N/c1-2-25-48-42-23-17-34(36-19-13-32-11-9-28-5-3-7-30-15-21-38(36)46(32)44(28)30)26-40(42)41-27-35(18-24-43(41)48)37-20-14-33-12-10-29-6-4-8-31-16-22-39(37)47(33)45(29)31/h2-24,26-27H,1,25H2
InChIKeyXVVKCGXZZSAPHR-UHFFFAOYSA-N
MW607.76 g/mol
LogP13.11
Rot. Bonds4

About 9-prop-2-enyl-3,6-di(pyren-1-yl)carbazole

9-prop-2-enyl-3,6-di(pyren-1-yl)carbazole (PubChem CID 132916036) has the molecular formula C47H29N and a molecular weight of 607.76 g/mol. Its IUPAC name is 9-prop-2-enyl-3,6-di(pyren-1-yl)carbazole.

Molecular Properties

Compound Name9-prop-2-enyl-3,6-di(pyren-1-yl)carbazole
PubChem CID132916036
Molecular FormulaC47H29N
Molecular Weight607.76 g/mol
Exact Mass607.23
IUPAC Name9-prop-2-enyl-3,6-di(pyren-1-yl)carbazole
SMILESC=CCn1c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc2c2cc(-c3ccc4ccc5cccc6ccc3c4c56)ccc21
InChIInChI=1S/C47H29N/c1-2-25-48-42-23-17-34(36-19-13-32-11-9-28-5-3-7-30-15-21-38(36)46(32)44(28)30)26-40(42)41-27-35(18-24-43(41)48)37-20-14-33-12-10-29-6-4-8-31-16-22-39(37)47(33)45(29)31/h2-24,26-27H,1,25H2
InChIKeyXVVKCGXZZSAPHR-UHFFFAOYSA-N
XLogP13.11
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.76
LogP ≤ 513.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 9-prop-2-enyl-3,6-di(pyren-1-yl)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

1-(6-pyren-1-ylphenanthren-3-yl)pyrene
CID 142721789
11-methyl-8-pyren-1-ylbenzo[a]carbazole
CID 58410605
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
1-[9,10-bis(4-phenylphenyl)anthracen-2-yl]pyrene
CID 59859301
2-pyren-1-yl-8-(4-pyren-1-ylphenyl)dibenzothiophene
CID 59758451
19-(4-pyren-1-ylphenyl)heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22,27-tetradecaene
CID 167412019
1-[2-(2-naphthalen-1-yl-5-pyren-1-ylphenyl)phenyl]pyrene
CID 169303134
1-[2,4,5-tri(pyren-1-yl)phenyl]pyrene;1-[4-[2,4,5-tris(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene
CID 162207927
1-[6-[9,9-dimethyl-7-(6-pyren-1-ylnaphthalen-2-yl)fluoren-2-yl]naphthalen-2-yl]pyrene
CID 59217018
1-ethyl-3,4-dinaphthalen-2-yl-2,5-bis(4-pyren-1-ylphenyl)pyrrole
CID 46846136
1-[9,9-dimethyl-7-(4-pyren-1-ylphenyl)fluoren-2-yl]-6-phenylpyrene
CID 156656858
1-[3-phenyl-4-(4-pyren-1-ylphenyl)phenyl]pyrene
CID 59775997

Frequently Asked Questions

What is the IUPAC name of 9-prop-2-enyl-3,6-di(pyren-1-yl)carbazole?
The IUPAC name of 9-prop-2-enyl-3,6-di(pyren-1-yl)carbazole (CID 132916036) is 9-prop-2-enyl-3,6-di(pyren-1-yl)carbazole.
What is the SMILES notation for 9-prop-2-enyl-3,6-di(pyren-1-yl)carbazole?
The canonical SMILES for 9-prop-2-enyl-3,6-di(pyren-1-yl)carbazole is C=CCn1c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc2c2cc(-c3ccc4ccc5cccc6ccc3c4c56)ccc21.
What is the InChIKey of 9-prop-2-enyl-3,6-di(pyren-1-yl)carbazole?
The InChIKey is XVVKCGXZZSAPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N/c1-2-25-48-42-23-17-34(36-19-13-32-11-9-28-5-3-7-30-15-21-38(36)46(32)44(28)30)26-40(42)41-27-35(18-24-43(41)48)37-20-14-33-12-10-29-6-4-8-31-16-22-39(37)47(33)45(29)31/h2-24,26-27H,1,25H2.
What are the key properties of 9-prop-2-enyl-3,6-di(pyren-1-yl)carbazole?
9-prop-2-enyl-3,6-di(pyren-1-yl)carbazole has a molecular weight of 607.76 g/mol, XLogP of 13.11, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-prop-2-enyl-3,6-di(pyren-1-yl)carbazole is sourced from PubChem (CID 132916036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).