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

C127H85N11 — CID 159576034

IUPAC5-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
SMILESCn1c(-c2ccccc2)nc2cc(-c3cc4c5ccccc5ccc4c4ccccc34)ccc21.Cn1c(-c2ccccc2)nc2cc(-c3cc4ccccc4c4ccccc34)ccc21.c1ccc(-c2nc3cc(-c4ccc5ccc6ccccc6c5n4)ccc3n2-c2ccccc2)cc1.c1ccc(-c2nc3cc(-c4cnc5c6ccccc6c6ccccc6c5n4)ccc3n2-c2ccccc2)cc1
InChIInChI=1S/C35H22N4.C32H21N3.C32H22N2.C28H20N2/c1-3-11-23(12-4-1)35-38-30-21-24(19-20-32(30)39(35)25-13-5-2-6-14-25)31-22-36-33-28-17-9-7-15-26(28)27-16-8-10-18-29(27)34(33)37-31;1-3-10-24(11-4-1)32-34-29-21-25(18-20-30(29)35(32)26-12-5-2-6-13-26)28-19-17-23-16-15-22-9-7-8-14-27(22)31(23)33-28;1-34-31-18-16-23(19-30(31)33-32(34)22-10-3-2-4-11-22)28-20-29-24-12-6-5-9-21(24)15-17-27(29)25-13-7-8-14-26(25)28;1-30-27-16-15-21(18-26(27)29-28(30)19-9-3-2-4-10-19)25-17-20-11-5-6-12-22(20)23-13-7-8-14-24(23)25/h1-22H;1-21H;2-20H,1H3;2-18H,1H3
InChIKeyMIKMMDCIQHJMAO-UHFFFAOYSA-N
MW1765.15 g/mol
LogP32.25
Rot. Bonds10

About 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

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 (PubChem CID 159576034) has the molecular formula C127H85N11 and a molecular weight of 1765.15 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID159576034
Molecular FormulaC127H85N11
Molecular Weight1765.15 g/mol
Exact Mass1763.70
IUPAC Name5-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
SMILESCn1c(-c2ccccc2)nc2cc(-c3cc4c5ccccc5ccc4c4ccccc34)ccc21.Cn1c(-c2ccccc2)nc2cc(-c3cc4ccccc4c4ccccc34)ccc21.c1ccc(-c2nc3cc(-c4ccc5ccc6ccccc6c5n4)ccc3n2-c2ccccc2)cc1.c1ccc(-c2nc3cc(-c4cnc5c6ccccc6c6ccccc6c5n4)ccc3n2-c2ccccc2)cc1
InChIInChI=1S/C35H22N4.C32H21N3.C32H22N2.C28H20N2/c1-3-11-23(12-4-1)35-38-30-21-24(19-20-32(30)39(35)25-13-5-2-6-14-25)31-22-36-33-28-17-9-7-15-26(28)27-16-8-10-18-29(27)34(33)37-31;1-3-10-24(11-4-1)32-34-29-21-25(18-20-30(29)35(32)26-12-5-2-6-13-26)28-19-17-23-16-15-22-9-7-8-14-27(22)31(23)33-28;1-34-31-18-16-23(19-30(31)33-32(34)22-10-3-2-4-11-22)28-20-29-24-12-6-5-9-21(24)15-17-27(29)25-13-7-8-14-26(25)28;1-30-27-16-15-21(18-26(27)29-28(30)19-9-3-2-4-10-19)25-17-20-11-5-6-12-22(20)23-13-7-8-14-24(23)25/h1-22H;1-21H;2-20H,1H3;2-18H,1H3
InChIKeyMIKMMDCIQHJMAO-UHFFFAOYSA-N
XLogP32.25
TPSA109.95 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001765.15
LogP ≤ 532.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Related Compounds

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
4-(1,2-diphenylbenzimidazol-5-yl)-2,6-dinaphthalen-2-ylbenzo[h]quinoline
CID 70958695
5-(12-naphthalen-2-ylchrysen-6-yl)-1,2-diphenylbenzimidazole
CID 143743337
6-(1,2-diphenylbenzimidazol-5-yl)-2,4-diphenylbenzo[h]quinoline
CID 70958976
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
2-(1,2-diphenylbenzimidazol-5-yl)-4,6-diphenylbenzo[h]quinoline;4,6-diphenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[h]quinoline;4,6-diphenyl-2-[4-(2-phenylbenzimidazol-1-yl)phenyl]benzo[h]quinoline
CID 158321652
5-(9,10-diphenylanthracen-2-yl)-1-methyl-2-phenylbenzimidazole;2-(3-phenanthren-9-yl-5-pyridin-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinazoline
CID 157098601
5-(4-hexacyclo[24.4.0.02,7.08,13.014,19.020,25]triaconta-1(30),2(7),3,5,8,10,12,14,16,18,20,22,24,26,28-pentadecaenyl)-1,2-diphenylbenzimidazole
CID 130269142
6,11-dinaphthalen-1-yl-3-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063953
2-(3-benzo[h]quinolin-2-ylphenyl)-6-[2-[4-(9-naphthalen-2-yl-10-naphthalen-2-ylanthracen-2-yl)phenyl]-3-phenylbenzimidazol-5-yl]benzo[h]quinoline
CID 134559803
3-[3-[4-[3-(9-phenylcarbazol-2-yl)phenyl]naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 129064044
6-(1,2-diphenylbenzimidazol-5-yl)-2,4-diphenylbenzo[h]quinoline;2,4-diphenyl-6-[4-(2,4,5-triphenylimidazol-1-yl)phenyl]benzo[h]quinoline
CID 161113557

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cn1c(-c2ccccc2)nc2cc(-c3cc4c5ccccc5ccc4c4ccccc34)ccc21.Cn1c(-c2ccccc2)nc2cc(-c3cc4ccccc4c4ccccc34)ccc21.c1ccc(-c2nc3cc(-c4ccc5ccc6ccccc6c5n4)ccc3n2-c2ccccc2)cc1.c1ccc(-c2nc3cc(-c4cnc5c6ccccc6c6ccccc6c5n4)ccc3n2-c2ccccc2)cc1.
What is the InChIKey of 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?
The InChIKey is MIKMMDCIQHJMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22N4.C32H21N3.C32H22N2.C28H20N2/c1-3-11-23(12-4-1)35-38-30-21-24(19-20-32(30)39(35)25-13-5-2-6-14-25)31-22-36-33-28-17-9-7-15-26(28)27-16-8-10-18-29(27)34(33)37-31;1-3-10-24(11-4-1)32-34-29-21-25(18-20-30(29)35(32)26-12-5-2-6-13-26)28-19-17-23-16-15-22-9-7-8-14-27(22)31(23)33-28;1-34-31-18-16-23(19-30(31)33-32(34)22-10-3-2-4-11-22)28-20-29-24-12-6-5-9-21(24)15-17-27(29)25-13-7-8-14-26(25)28;1-30-27-16-15-21(18-26(27)29-28(30)19-9-3-2-4-10-19)25-17-20-11-5-6-12-22(20)23-13-7-8-14-24(23)25/h1-22H;1-21H;2-20H,1H3;2-18H,1H3.
What are the key properties of 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?
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 has a molecular weight of 1765.15 g/mol, XLogP of 32.25, 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-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 is sourced from PubChem (CID 159576034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).