1-phenyl-2-[3-[7-[3-(1-phenylbenzimidazol-2-yl)phenyl]-9,10-dihydrophenanthren-2-yl]phenyl]benzimidazole

C52H36N4 — CID 90075826

IUPAC1-phenyl-2-[3-[7-[3-(1-phenylbenzimidazol-2-yl)phenyl]-9,10-dihydrophenanthren-2-yl]phenyl]benzimidazole
SMILESc1ccc(-n2c(-c3cccc(-c4ccc5c(c4)CCc4cc(-c6cccc(-c7nc8ccccc8n7-c7ccccc7)c6)ccc4-5)c3)nc3ccccc32)cc1
InChIInChI=1S/C52H36N4/c1-3-17-43(18-4-1)55-49-23-9-7-21-47(49)53-51(55)41-15-11-13-35(33-41)37-27-29-45-39(31-37)25-26-40-32-38(28-30-46(40)45)36-14-12-16-42(34-36)52-54-48-22-8-10-24-50(48)56(52)44-19-5-2-6-20-44/h1-24,27-34H,25-26H2
InChIKeyYJEZBZPOWZFPSJ-UHFFFAOYSA-N
MW716.89 g/mol
LogP12.80
Rot. Bonds6

About 1-phenyl-2-[3-[7-[3-(1-phenylbenzimidazol-2-yl)phenyl]-9,10-dihydrophenanthren-2-yl]phenyl]benzimidazole

1-phenyl-2-[3-[7-[3-(1-phenylbenzimidazol-2-yl)phenyl]-9,10-dihydrophenanthren-2-yl]phenyl]benzimidazole (PubChem CID 90075826) has the molecular formula C52H36N4 and a molecular weight of 716.89 g/mol. Its IUPAC name is 1-phenyl-2-[3-[7-[3-(1-phenylbenzimidazol-2-yl)phenyl]-9,10-dihydrophenanthren-2-yl]phenyl]benzimidazole.

Molecular Properties

Compound Name1-phenyl-2-[3-[7-[3-(1-phenylbenzimidazol-2-yl)phenyl]-9,10-dihydrophenanthren-2-yl]phenyl]benzimidazole
PubChem CID90075826
Molecular FormulaC52H36N4
Molecular Weight716.89 g/mol
Exact Mass716.29
IUPAC Name1-phenyl-2-[3-[7-[3-(1-phenylbenzimidazol-2-yl)phenyl]-9,10-dihydrophenanthren-2-yl]phenyl]benzimidazole
SMILESc1ccc(-n2c(-c3cccc(-c4ccc5c(c4)CCc4cc(-c6cccc(-c7nc8ccccc8n7-c7ccccc7)c6)ccc4-5)c3)nc3ccccc32)cc1
InChIInChI=1S/C52H36N4/c1-3-17-43(18-4-1)55-49-23-9-7-21-47(49)53-51(55)41-15-11-13-35(33-41)37-27-29-45-39(31-37)25-26-40-32-38(28-30-46(40)45)36-14-12-16-42(34-36)52-54-48-22-8-10-24-50(48)56(52)44-19-5-2-6-20-44/h1-24,27-34H,25-26H2
InChIKeyYJEZBZPOWZFPSJ-UHFFFAOYSA-N
XLogP12.80
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.89
LogP ≤ 512.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole
CID 141061579
2-[3-(7,8-dihydrobenzo[c]phenanthren-5-yl)phenyl]-1-phenylbenzimidazole
CID 67991408
1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
9-phenyl-1,3-bis[3-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 118448479
1-phenyl-2-[3-[10-(9-phenylphenanthren-3-yl)anthracen-9-yl]phenyl]benzimidazole
CID 140942183
2-[3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]-1-phenylbenzimidazole
CID 166509976
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-(3-phenylphenyl)benzimidazole
CID 155173937
9-[3-[2,4-bis(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole
CID 58500891
3-[3-[2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]benzimidazol-1-yl]phenyl]-9-[3,5-di(carbazol-9-yl)phenyl]carbazole
CID 126493490
2-[4-[9-(3,5-diphenylphenyl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole
CID 167136922
1-phenyl-2-[4-triphenylen-2-yl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]benzimidazole
CID 171812772
2-[4-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]-1-phenylbenzimidazole
CID 143828986

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[3-[7-[3-(1-phenylbenzimidazol-2-yl)phenyl]-9,10-dihydrophenanthren-2-yl]phenyl]benzimidazole?
The IUPAC name of 1-phenyl-2-[3-[7-[3-(1-phenylbenzimidazol-2-yl)phenyl]-9,10-dihydrophenanthren-2-yl]phenyl]benzimidazole (CID 90075826) is 1-phenyl-2-[3-[7-[3-(1-phenylbenzimidazol-2-yl)phenyl]-9,10-dihydrophenanthren-2-yl]phenyl]benzimidazole.
What is the SMILES notation for 1-phenyl-2-[3-[7-[3-(1-phenylbenzimidazol-2-yl)phenyl]-9,10-dihydrophenanthren-2-yl]phenyl]benzimidazole?
The canonical SMILES for 1-phenyl-2-[3-[7-[3-(1-phenylbenzimidazol-2-yl)phenyl]-9,10-dihydrophenanthren-2-yl]phenyl]benzimidazole is c1ccc(-n2c(-c3cccc(-c4ccc5c(c4)CCc4cc(-c6cccc(-c7nc8ccccc8n7-c7ccccc7)c6)ccc4-5)c3)nc3ccccc32)cc1.
What is the InChIKey of 1-phenyl-2-[3-[7-[3-(1-phenylbenzimidazol-2-yl)phenyl]-9,10-dihydrophenanthren-2-yl]phenyl]benzimidazole?
The InChIKey is YJEZBZPOWZFPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N4/c1-3-17-43(18-4-1)55-49-23-9-7-21-47(49)53-51(55)41-15-11-13-35(33-41)37-27-29-45-39(31-37)25-26-40-32-38(28-30-46(40)45)36-14-12-16-42(34-36)52-54-48-22-8-10-24-50(48)56(52)44-19-5-2-6-20-44/h1-24,27-34H,25-26H2.
What are the key properties of 1-phenyl-2-[3-[7-[3-(1-phenylbenzimidazol-2-yl)phenyl]-9,10-dihydrophenanthren-2-yl]phenyl]benzimidazole?
1-phenyl-2-[3-[7-[3-(1-phenylbenzimidazol-2-yl)phenyl]-9,10-dihydrophenanthren-2-yl]phenyl]benzimidazole has a molecular weight of 716.89 g/mol, XLogP of 12.80, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[3-[7-[3-(1-phenylbenzimidazol-2-yl)phenyl]-9,10-dihydrophenanthren-2-yl]phenyl]benzimidazole is sourced from PubChem (CID 90075826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).