2-(4-ethenylphenyl)-3-phenylphenanthro[9,10-d]imidazole

C29H20N2 — CID 174682704

IUPAC2-(4-ethenylphenyl)-3-phenylphenanthro[9,10-d]imidazole
SMILESC=Cc1ccc(-c2nc3c4ccccc4c4ccccc4c3n2-c2ccccc2)cc1
InChIInChI=1S/C29H20N2/c1-2-20-16-18-21(19-17-20)29-30-27-25-14-8-6-12-23(25)24-13-7-9-15-26(24)28(27)31(29)22-10-4-3-5-11-22/h2-19H,1H2
InChIKeyKNQFIPIPTGUTMR-UHFFFAOYSA-N
MW396.49 g/mol
LogP7.64
Rot. Bonds3

About 2-(4-ethenylphenyl)-3-phenylphenanthro[9,10-d]imidazole

2-(4-ethenylphenyl)-3-phenylphenanthro[9,10-d]imidazole (PubChem CID 174682704) has the molecular formula C29H20N2 and a molecular weight of 396.49 g/mol. Its IUPAC name is 2-(4-ethenylphenyl)-3-phenylphenanthro[9,10-d]imidazole.

Molecular Properties

Compound Name2-(4-ethenylphenyl)-3-phenylphenanthro[9,10-d]imidazole
PubChem CID174682704
Molecular FormulaC29H20N2
Molecular Weight396.49 g/mol
Exact Mass396.16
IUPAC Name2-(4-ethenylphenyl)-3-phenylphenanthro[9,10-d]imidazole
SMILESC=Cc1ccc(-c2nc3c4ccccc4c4ccccc4c3n2-c2ccccc2)cc1
InChIInChI=1S/C29H20N2/c1-2-20-16-18-21(19-17-20)29-30-27-25-14-8-6-12-23(25)24-13-7-9-15-26(24)28(27)31(29)22-10-4-3-5-11-22/h2-19H,1H2
InChIKeyKNQFIPIPTGUTMR-UHFFFAOYSA-N
XLogP7.64
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.49
LogP ≤ 57.64
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

3-(4-methylphenyl)-2-phenylphenanthro[9,10-d]imidazole
CID 139176008
11-phenyl-12-[4-[2-(4-phenylphenyl)phenanthro[9,10-d]imidazol-3-yl]phenyl]indolo[2,3-a]carbazole
CID 126500785
2,3-bis[4-(trifluoromethyl)phenyl]phenanthro[9,10-d]imidazole
CID 132503187
11-phenyl-12-[3-[2-(4-phenylphenyl)phenanthro[9,10-d]imidazol-3-yl]phenyl]indolo[2,3-a]carbazole
CID 126500778
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylphenanthro[9,10-d]imidazole
CID 126494792
(Z)-3-[4-[(Z)-2-cyano-2-[4-(2-phenylphenanthro[9,10-d]imidazol-3-yl)phenyl]ethenyl]phenyl]-2-[4-(2-phenylphenanthro[9,10-d]imidazol-3-yl)phenyl]prop-2-enenitrile
CID 139179031
N-[4-(1,2-diphenylphenanthro[9,10-d]imidazol-5-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 166889866
2-(4-ethenylphenyl)-3-hexylphenanthro[9,10-d]imidazole
CID 101417685
2-(4-bromophenyl)-3,6,9-triphenylphenanthro[9,10-d]imidazole
CID 171785865
2-[3,5-bis(4,6-diphenyl-2-pyridinyl)phenyl]-3-phenylphenanthro[9,10-d]imidazole
CID 89279828
2-phenyl-3-[4-(9-phenylpyrido[2,3-b]indol-8-yl)phenyl]phenanthro[9,10-d]imidazole
CID 126500704
2-[4-[4-(2,6-diphenyl-[1,3,5]triazino[2,1-a]isoindol-4-yl)phenyl]phenyl]-3-phenylphenanthro[9,10-d]imidazole
CID 169053732

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethenylphenyl)-3-phenylphenanthro[9,10-d]imidazole?
The IUPAC name of 2-(4-ethenylphenyl)-3-phenylphenanthro[9,10-d]imidazole (CID 174682704) is 2-(4-ethenylphenyl)-3-phenylphenanthro[9,10-d]imidazole.
What is the SMILES notation for 2-(4-ethenylphenyl)-3-phenylphenanthro[9,10-d]imidazole?
The canonical SMILES for 2-(4-ethenylphenyl)-3-phenylphenanthro[9,10-d]imidazole is C=Cc1ccc(-c2nc3c4ccccc4c4ccccc4c3n2-c2ccccc2)cc1.
What is the InChIKey of 2-(4-ethenylphenyl)-3-phenylphenanthro[9,10-d]imidazole?
The InChIKey is KNQFIPIPTGUTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20N2/c1-2-20-16-18-21(19-17-20)29-30-27-25-14-8-6-12-23(25)24-13-7-9-15-26(24)28(27)31(29)22-10-4-3-5-11-22/h2-19H,1H2.
What are the key properties of 2-(4-ethenylphenyl)-3-phenylphenanthro[9,10-d]imidazole?
2-(4-ethenylphenyl)-3-phenylphenanthro[9,10-d]imidazole has a molecular weight of 396.49 g/mol, XLogP of 7.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethenylphenyl)-3-phenylphenanthro[9,10-d]imidazole is sourced from PubChem (CID 174682704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).