3-cyclohexyl-2-[4-(1,2,2-triphenylethenyl)phenyl]phenanthro[9,10-d]imidazole

C47H38N2 — CID 145301262

IUPAC3-cyclohexyl-2-[4-(1,2,2-triphenylethenyl)phenyl]phenanthro[9,10-d]imidazole
SMILESc1ccc(C(=C(c2ccccc2)c2ccc(-c3nc4c5ccccc5c5ccccc5c4n3C3CCCCC3)cc2)c2ccccc2)cc1
InChIInChI=1S/C47H38N2/c1-5-17-33(18-6-1)43(34-19-7-2-8-20-34)44(35-21-9-3-10-22-35)36-29-31-37(32-30-36)47-48-45-41-27-15-13-25-39(41)40-26-14-16-28-42(40)46(45)49(47)38-23-11-4-12-24-38/h1-3,5-10,13-22,25-32,38H,4,11-12,23-24H2
InChIKeySMOUZKIMVKLWGT-UHFFFAOYSA-N
MW630.84 g/mol
LogP12.52
Rot. Bonds6

About 3-cyclohexyl-2-[4-(1,2,2-triphenylethenyl)phenyl]phenanthro[9,10-d]imidazole

3-cyclohexyl-2-[4-(1,2,2-triphenylethenyl)phenyl]phenanthro[9,10-d]imidazole (PubChem CID 145301262) has the molecular formula C47H38N2 and a molecular weight of 630.84 g/mol. Its IUPAC name is 3-cyclohexyl-2-[4-(1,2,2-triphenylethenyl)phenyl]phenanthro[9,10-d]imidazole.

Molecular Properties

Compound Name3-cyclohexyl-2-[4-(1,2,2-triphenylethenyl)phenyl]phenanthro[9,10-d]imidazole
PubChem CID145301262
Molecular FormulaC47H38N2
Molecular Weight630.84 g/mol
Exact Mass630.30
IUPAC Name3-cyclohexyl-2-[4-(1,2,2-triphenylethenyl)phenyl]phenanthro[9,10-d]imidazole
SMILESc1ccc(C(=C(c2ccccc2)c2ccc(-c3nc4c5ccccc5c5ccccc5c4n3C3CCCCC3)cc2)c2ccccc2)cc1
InChIInChI=1S/C47H38N2/c1-5-17-33(18-6-1)43(34-19-7-2-8-20-34)44(35-21-9-3-10-22-35)36-29-31-37(32-30-36)47-48-45-41-27-15-13-25-39(41)40-26-14-16-28-42(40)46(45)49(47)38-23-11-4-12-24-38/h1-3,5-10,13-22,25-32,38H,4,11-12,23-24H2
InChIKeySMOUZKIMVKLWGT-UHFFFAOYSA-N
XLogP12.52
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.84
LogP ≤ 512.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[5-(3-phenylphenanthro[9,10-d]imidazol-2-yl)thiophen-2-yl]-7-[4-(1,2,2-triphenylethenyl)phenyl]-2,1,3-benzothiadiazole
CID 122210026
3-(4-methylphenyl)-2-phenylphenanthro[9,10-d]imidazole
CID 139176008
5-(2-phenylphenanthro[9,10-d]imidazol-3-yl)benzene-1,3-dicarboxylic acid
CID 163775550
4-cyclohexyl-3-phenyl-1H-1,2,4-triazole-5-thione
CID 696377
6-cyclododecylbenzo[d][2]benzazepine-5,7-dione
CID 4990028
4-cyclobutyl-3,5-diphenyl-1,2,4-triazole
CID 10612456
5-chloro-3-cyclohexyl-2-phenylimidazole-4-carbaldehyde
CID 86623638
9-cyclononylcarbazole
CID 139570160
(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
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
(2-phenylphenanthro[9,10-d]imidazol-3-yl) acetate
CID 14029044

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-[4-(1,2,2-triphenylethenyl)phenyl]phenanthro[9,10-d]imidazole?
The IUPAC name of 3-cyclohexyl-2-[4-(1,2,2-triphenylethenyl)phenyl]phenanthro[9,10-d]imidazole (CID 145301262) is 3-cyclohexyl-2-[4-(1,2,2-triphenylethenyl)phenyl]phenanthro[9,10-d]imidazole.
What is the SMILES notation for 3-cyclohexyl-2-[4-(1,2,2-triphenylethenyl)phenyl]phenanthro[9,10-d]imidazole?
The canonical SMILES for 3-cyclohexyl-2-[4-(1,2,2-triphenylethenyl)phenyl]phenanthro[9,10-d]imidazole is c1ccc(C(=C(c2ccccc2)c2ccc(-c3nc4c5ccccc5c5ccccc5c4n3C3CCCCC3)cc2)c2ccccc2)cc1.
What is the InChIKey of 3-cyclohexyl-2-[4-(1,2,2-triphenylethenyl)phenyl]phenanthro[9,10-d]imidazole?
The InChIKey is SMOUZKIMVKLWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H38N2/c1-5-17-33(18-6-1)43(34-19-7-2-8-20-34)44(35-21-9-3-10-22-35)36-29-31-37(32-30-36)47-48-45-41-27-15-13-25-39(41)40-26-14-16-28-42(40)46(45)49(47)38-23-11-4-12-24-38/h1-3,5-10,13-22,25-32,38H,4,11-12,23-24H2.
What are the key properties of 3-cyclohexyl-2-[4-(1,2,2-triphenylethenyl)phenyl]phenanthro[9,10-d]imidazole?
3-cyclohexyl-2-[4-(1,2,2-triphenylethenyl)phenyl]phenanthro[9,10-d]imidazole has a molecular weight of 630.84 g/mol, XLogP of 12.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-[4-(1,2,2-triphenylethenyl)phenyl]phenanthro[9,10-d]imidazole is sourced from PubChem (CID 145301262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).