5-chrysen-6-yl-1-ethyl-2-phenylbenzimidazole;1-ethyl-5-phenanthren-9-yl-2-phenylbenzimidazole;2-(1-methyl-2-phenylbenzimidazol-5-yl)benzo[h]quinoline;3-(1-methyl-2-phenylbenzimidazol-5-yl)phenanthro[9,10-b]pyrazine

C119H85N11 — CID 160946426

IUPAC5-chrysen-6-yl-1-ethyl-2-phenylbenzimidazole;1-ethyl-5-phenanthren-9-yl-2-phenylbenzimidazole;2-(1-methyl-2-phenylbenzimidazol-5-yl)benzo[h]quinoline;3-(1-methyl-2-phenylbenzimidazol-5-yl)phenanthro[9,10-b]pyrazine
SMILESCCn1c(-c2ccccc2)nc2cc(-c3cc4c5ccccc5ccc4c4ccccc34)ccc21.CCn1c(-c2ccccc2)nc2cc(-c3cc4ccccc4c4ccccc34)ccc21.Cn1c(-c2ccccc2)nc2cc(-c3ccc4ccc5ccccc5c4n3)ccc21.Cn1c(-c2ccccc2)nc2cc(-c3cnc4c5ccccc5c5ccccc5c4n3)ccc21
InChIInChI=1S/C33H24N2.C30H20N4.C29H22N2.C27H19N3/c1-2-35-32-19-17-24(20-31(32)34-33(35)23-11-4-3-5-12-23)29-21-30-25-13-7-6-10-22(25)16-18-28(30)26-14-8-9-15-27(26)29;1-34-27-16-15-20(17-25(27)33-30(34)19-9-3-2-4-10-19)26-18-31-28-23-13-7-5-11-21(23)22-12-6-8-14-24(22)29(28)32-26;1-2-31-28-17-16-22(19-27(28)30-29(31)20-10-4-3-5-11-20)26-18-21-12-6-7-13-23(21)24-14-8-9-15-25(24)26;1-30-25-16-14-21(17-24(25)29-27(30)20-8-3-2-4-9-20)23-15-13-19-12-11-18-7-5-6-10-22(18)26(19)28-23/h3-21H,2H2,1H3;2-18H,1H3;3-19H,2H2,1H3;2-17H,1H3
InChIKeySVEFCWVUVCSAJL-UHFFFAOYSA-N
MW1669.07 g/mol
LogP30.31
Rot. Bonds10

About 5-chrysen-6-yl-1-ethyl-2-phenylbenzimidazole;1-ethyl-5-phenanthren-9-yl-2-phenylbenzimidazole;2-(1-methyl-2-phenylbenzimidazol-5-yl)benzo[h]quinoline;3-(1-methyl-2-phenylbenzimidazol-5-yl)phenanthro[9,10-b]pyrazine

5-chrysen-6-yl-1-ethyl-2-phenylbenzimidazole;1-ethyl-5-phenanthren-9-yl-2-phenylbenzimidazole;2-(1-methyl-2-phenylbenzimidazol-5-yl)benzo[h]quinoline;3-(1-methyl-2-phenylbenzimidazol-5-yl)phenanthro[9,10-b]pyrazine (PubChem CID 160946426) has the molecular formula C119H85N11 and a molecular weight of 1669.07 g/mol. Its IUPAC name is 5-chrysen-6-yl-1-ethyl-2-phenylbenzimidazole;1-ethyl-5-phenanthren-9-yl-2-phenylbenzimidazole;2-(1-methyl-2-phenylbenzimidazol-5-yl)benzo[h]quinoline;3-(1-methyl-2-phenylbenzimidazol-5-yl)phenanthro[9,10-b]pyrazine.

Molecular Properties

Compound Name5-chrysen-6-yl-1-ethyl-2-phenylbenzimidazole;1-ethyl-5-phenanthren-9-yl-2-phenylbenzimidazole;2-(1-methyl-2-phenylbenzimidazol-5-yl)benzo[h]quinoline;3-(1-methyl-2-phenylbenzimidazol-5-yl)phenanthro[9,10-b]pyrazine
PubChem CID160946426
Molecular FormulaC119H85N11
Molecular Weight1669.07 g/mol
Exact Mass1667.70
IUPAC Name5-chrysen-6-yl-1-ethyl-2-phenylbenzimidazole;1-ethyl-5-phenanthren-9-yl-2-phenylbenzimidazole;2-(1-methyl-2-phenylbenzimidazol-5-yl)benzo[h]quinoline;3-(1-methyl-2-phenylbenzimidazol-5-yl)phenanthro[9,10-b]pyrazine
SMILESCCn1c(-c2ccccc2)nc2cc(-c3cc4c5ccccc5ccc4c4ccccc34)ccc21.CCn1c(-c2ccccc2)nc2cc(-c3cc4ccccc4c4ccccc34)ccc21.Cn1c(-c2ccccc2)nc2cc(-c3ccc4ccc5ccccc5c4n3)ccc21.Cn1c(-c2ccccc2)nc2cc(-c3cnc4c5ccccc5c5ccccc5c4n3)ccc21
InChIInChI=1S/C33H24N2.C30H20N4.C29H22N2.C27H19N3/c1-2-35-32-19-17-24(20-31(32)34-33(35)23-11-4-3-5-12-23)29-21-30-25-13-7-6-10-22(25)16-18-28(30)26-14-8-9-15-27(26)29;1-34-27-16-15-20(17-25(27)33-30(34)19-9-3-2-4-10-19)26-18-31-28-23-13-7-5-11-21(23)22-12-6-8-14-24(22)29(28)32-26;1-2-31-28-17-16-22(19-27(28)30-29(31)20-10-4-3-5-11-20)26-18-21-12-6-7-13-23(21)24-14-8-9-15-25(24)26;1-30-25-16-14-21(17-24(25)29-27(30)20-8-3-2-4-9-20)23-15-13-19-12-11-18-7-5-6-10-22(18)26(19)28-23/h3-21H,2H2,1H3;2-18H,1H3;3-19H,2H2,1H3;2-17H,1H3
InChIKeySVEFCWVUVCSAJL-UHFFFAOYSA-N
XLogP30.31
TPSA109.95 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001669.07
LogP ≤ 530.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 5-chrysen-6-yl-1-ethyl-2-phenylbenzimidazole;1-ethyl-5-phenanthren-9-yl-2-phenylbenzimidazole;2-(1-methyl-2-phenylbenzimidazol-5-yl)benzo[h]quinoline;3-(1-methyl-2-phenylbenzimidazol-5-yl)phenanthro[9,10-b]pyrazine with MolForge

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Related Compounds

5-chrysen-6-yl-1-methyl-2-phenylbenzimidazole;2-(1,2-diphenylbenzimidazol-5-yl)benzo[h]quinoline;3-(1,2-diphenylbenzimidazol-5-yl)phenanthro[9,10-b]pyrazine;1-methyl-5-phenanthren-9-yl-2-phenylbenzimidazole
CID 159576034
3-(4-phenanthren-9-ylphenyl)phenanthro[9,10-b]pyrazine
CID 86679313
1-ethyl-5-[6-[4-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)phenyl]-3-pyridinyl]-2-phenylbenzimidazole
CID 167410604
3-[3-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]-5-phenanthren-9-ylphenyl]phenanthro[9,10-b]pyrazine
CID 176622556
1-(4-perylen-3-ylphenyl)-2-phenylbenzimidazole;2-[4-(2-phenylbenzimidazol-1-yl)phenyl]benzo[h]quinoline;6-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenanthridine;3-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenanthro[9,10-b]pyrazine;5-[4-(2-phenylbenzimidazol-1-yl)phenyl]-1,10-phenanthroline;2-phenyl-1-(3-pyren-1-ylphenyl)benzimidazole
CID 158250181
1-ethyl-2-phenyl-5-[4-[10-[2-(4-phenylphenyl)phenyl]-9-[2-[4-(4-phenylphenyl)phenyl]phenyl]anthracen-2-yl]phenyl]benzimidazole
CID 58389750
2-(4-benzo[a]anthracen-7-ylphenyl)-1-methylbenzimidazole
CID 88544840
1-ethyl-5-[4-[6-[5-(5-methylphenanthren-4-yl)phenanthren-2-yl]naphthalen-2-yl]phenyl]-2-phenylbenzimidazole
CID 167412667
4-(1,2-diphenylbenzimidazol-5-yl)-2,6-dinaphthalen-2-ylbenzo[h]quinoline
CID 70958695
3-[3-phenanthren-9-yl-5-[6-phenyl-4-(3-phenylphenyl)-2-pyridinyl]phenyl]phenanthro[9,10-b]pyrazine
CID 176622478
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(7-phenanthren-9-ylquinolin-2-yl)quinoline;2-[4-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)quinolin-7-yl]quinolin-7-yl]phenyl]-9-phenyl-1,10-phenanthroline
CID 165094254
2-phenyl-9-triphenylen-2-yl-1,10-phenanthroline
CID 170166669

Frequently Asked Questions

What is the IUPAC name of 5-chrysen-6-yl-1-ethyl-2-phenylbenzimidazole;1-ethyl-5-phenanthren-9-yl-2-phenylbenzimidazole;2-(1-methyl-2-phenylbenzimidazol-5-yl)benzo[h]quinoline;3-(1-methyl-2-phenylbenzimidazol-5-yl)phenanthro[9,10-b]pyrazine?
The IUPAC name of 5-chrysen-6-yl-1-ethyl-2-phenylbenzimidazole;1-ethyl-5-phenanthren-9-yl-2-phenylbenzimidazole;2-(1-methyl-2-phenylbenzimidazol-5-yl)benzo[h]quinoline;3-(1-methyl-2-phenylbenzimidazol-5-yl)phenanthro[9,10-b]pyrazine (CID 160946426) is 5-chrysen-6-yl-1-ethyl-2-phenylbenzimidazole;1-ethyl-5-phenanthren-9-yl-2-phenylbenzimidazole;2-(1-methyl-2-phenylbenzimidazol-5-yl)benzo[h]quinoline;3-(1-methyl-2-phenylbenzimidazol-5-yl)phenanthro[9,10-b]pyrazine.
What is the SMILES notation for 5-chrysen-6-yl-1-ethyl-2-phenylbenzimidazole;1-ethyl-5-phenanthren-9-yl-2-phenylbenzimidazole;2-(1-methyl-2-phenylbenzimidazol-5-yl)benzo[h]quinoline;3-(1-methyl-2-phenylbenzimidazol-5-yl)phenanthro[9,10-b]pyrazine?
The canonical SMILES for 5-chrysen-6-yl-1-ethyl-2-phenylbenzimidazole;1-ethyl-5-phenanthren-9-yl-2-phenylbenzimidazole;2-(1-methyl-2-phenylbenzimidazol-5-yl)benzo[h]quinoline;3-(1-methyl-2-phenylbenzimidazol-5-yl)phenanthro[9,10-b]pyrazine is CCn1c(-c2ccccc2)nc2cc(-c3cc4c5ccccc5ccc4c4ccccc34)ccc21.CCn1c(-c2ccccc2)nc2cc(-c3cc4ccccc4c4ccccc34)ccc21.Cn1c(-c2ccccc2)nc2cc(-c3ccc4ccc5ccccc5c4n3)ccc21.Cn1c(-c2ccccc2)nc2cc(-c3cnc4c5ccccc5c5ccccc5c4n3)ccc21.
What is the InChIKey of 5-chrysen-6-yl-1-ethyl-2-phenylbenzimidazole;1-ethyl-5-phenanthren-9-yl-2-phenylbenzimidazole;2-(1-methyl-2-phenylbenzimidazol-5-yl)benzo[h]quinoline;3-(1-methyl-2-phenylbenzimidazol-5-yl)phenanthro[9,10-b]pyrazine?
The InChIKey is SVEFCWVUVCSAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24N2.C30H20N4.C29H22N2.C27H19N3/c1-2-35-32-19-17-24(20-31(32)34-33(35)23-11-4-3-5-12-23)29-21-30-25-13-7-6-10-22(25)16-18-28(30)26-14-8-9-15-27(26)29;1-34-27-16-15-20(17-25(27)33-30(34)19-9-3-2-4-10-19)26-18-31-28-23-13-7-5-11-21(23)22-12-6-8-14-24(22)29(28)32-26;1-2-31-28-17-16-22(19-27(28)30-29(31)20-10-4-3-5-11-20)26-18-21-12-6-7-13-23(21)24-14-8-9-15-25(24)26;1-30-25-16-14-21(17-24(25)29-27(30)20-8-3-2-4-9-20)23-15-13-19-12-11-18-7-5-6-10-22(18)26(19)28-23/h3-21H,2H2,1H3;2-18H,1H3;3-19H,2H2,1H3;2-17H,1H3.
What are the key properties of 5-chrysen-6-yl-1-ethyl-2-phenylbenzimidazole;1-ethyl-5-phenanthren-9-yl-2-phenylbenzimidazole;2-(1-methyl-2-phenylbenzimidazol-5-yl)benzo[h]quinoline;3-(1-methyl-2-phenylbenzimidazol-5-yl)phenanthro[9,10-b]pyrazine?
5-chrysen-6-yl-1-ethyl-2-phenylbenzimidazole;1-ethyl-5-phenanthren-9-yl-2-phenylbenzimidazole;2-(1-methyl-2-phenylbenzimidazol-5-yl)benzo[h]quinoline;3-(1-methyl-2-phenylbenzimidazol-5-yl)phenanthro[9,10-b]pyrazine has a molecular weight of 1669.07 g/mol, XLogP of 30.31, 10 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chrysen-6-yl-1-ethyl-2-phenylbenzimidazole;1-ethyl-5-phenanthren-9-yl-2-phenylbenzimidazole;2-(1-methyl-2-phenylbenzimidazol-5-yl)benzo[h]quinoline;3-(1-methyl-2-phenylbenzimidazol-5-yl)phenanthro[9,10-b]pyrazine is sourced from PubChem (CID 160946426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).