1-phenyl-2-[4-[4-(4,5,6-triphenylpyrimidin-2-yl)phenyl]phenyl]benzimidazole

C47H32N4 — CID 155140715

IUPAC1-phenyl-2-[4-[4-(4,5,6-triphenylpyrimidin-2-yl)phenyl]phenyl]benzimidazole
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)cc3)nc(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C47H32N4/c1-5-15-35(16-6-1)43-44(36-17-7-2-8-18-36)49-46(50-45(43)37-19-9-3-10-20-37)38-29-25-33(26-30-38)34-27-31-39(32-28-34)47-48-41-23-13-14-24-42(41)51(47)40-21-11-4-12-22-40/h1-32H
InChIKeyKNDRDHUABCYNHF-UHFFFAOYSA-N
MW652.80 g/mol
LogP11.82
Rot. Bonds7

About 1-phenyl-2-[4-[4-(4,5,6-triphenylpyrimidin-2-yl)phenyl]phenyl]benzimidazole

1-phenyl-2-[4-[4-(4,5,6-triphenylpyrimidin-2-yl)phenyl]phenyl]benzimidazole (PubChem CID 155140715) has the molecular formula C47H32N4 and a molecular weight of 652.80 g/mol. Its IUPAC name is 1-phenyl-2-[4-[4-(4,5,6-triphenylpyrimidin-2-yl)phenyl]phenyl]benzimidazole.

Molecular Properties

Compound Name1-phenyl-2-[4-[4-(4,5,6-triphenylpyrimidin-2-yl)phenyl]phenyl]benzimidazole
PubChem CID155140715
Molecular FormulaC47H32N4
Molecular Weight652.80 g/mol
Exact Mass652.26
IUPAC Name1-phenyl-2-[4-[4-(4,5,6-triphenylpyrimidin-2-yl)phenyl]phenyl]benzimidazole
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)cc3)nc(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C47H32N4/c1-5-15-35(16-6-1)43-44(36-17-7-2-8-18-36)49-46(50-45(43)37-19-9-3-10-20-37)38-29-25-33(26-30-38)34-27-31-39(32-28-34)47-48-41-23-13-14-24-42(41)51(47)40-21-11-4-12-22-40/h1-32H
InChIKeyKNDRDHUABCYNHF-UHFFFAOYSA-N
XLogP11.82
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.80
LogP ≤ 511.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[4,6-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1-phenylbenzimidazole
CID 155186062
1-[4-[4,6-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole
CID 152919581
1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
1-phenyl-2-[4-[4-(2,3,4,5-tetraphenylpyrrol-1-yl)phenyl]phenyl]benzimidazole
CID 58489449
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-pyridin-4-ylbenzimidazole
CID 155173998
1-phenyl-2-[4-[3-[4-[4-(4,5,6-trimethylpyrimidin-2-yl)phenyl]phenyl]phenyl]phenyl]benzimidazole
CID 147177465
2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole
CID 20771538
9-[4-[4-(4,5,6-triphenylpyrimidin-2-yl)phenyl]phenyl]carbazole
CID 155140501
2-[4-[3-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1-phenylbenzimidazole;2-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1-phenylbenzimidazole;1-phenyl-2-[4-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]phenyl]benzimidazole;1-phenyl-2-[4-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]benzimidazole
CID 161378320
1-phenyl-2-[4-(12-phenyltetracen-5-yl)phenyl]benzimidazole
CID 168827474
1-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzimidazole
CID 155179256
9-[4-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 58470934

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[4-[4-(4,5,6-triphenylpyrimidin-2-yl)phenyl]phenyl]benzimidazole?
The IUPAC name of 1-phenyl-2-[4-[4-(4,5,6-triphenylpyrimidin-2-yl)phenyl]phenyl]benzimidazole (CID 155140715) is 1-phenyl-2-[4-[4-(4,5,6-triphenylpyrimidin-2-yl)phenyl]phenyl]benzimidazole.
What is the SMILES notation for 1-phenyl-2-[4-[4-(4,5,6-triphenylpyrimidin-2-yl)phenyl]phenyl]benzimidazole?
The canonical SMILES for 1-phenyl-2-[4-[4-(4,5,6-triphenylpyrimidin-2-yl)phenyl]phenyl]benzimidazole is c1ccc(-c2nc(-c3ccc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)cc3)nc(-c3ccccc3)c2-c2ccccc2)cc1.
What is the InChIKey of 1-phenyl-2-[4-[4-(4,5,6-triphenylpyrimidin-2-yl)phenyl]phenyl]benzimidazole?
The InChIKey is KNDRDHUABCYNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32N4/c1-5-15-35(16-6-1)43-44(36-17-7-2-8-18-36)49-46(50-45(43)37-19-9-3-10-20-37)38-29-25-33(26-30-38)34-27-31-39(32-28-34)47-48-41-23-13-14-24-42(41)51(47)40-21-11-4-12-22-40/h1-32H.
What are the key properties of 1-phenyl-2-[4-[4-(4,5,6-triphenylpyrimidin-2-yl)phenyl]phenyl]benzimidazole?
1-phenyl-2-[4-[4-(4,5,6-triphenylpyrimidin-2-yl)phenyl]phenyl]benzimidazole has a molecular weight of 652.80 g/mol, XLogP of 11.82, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[4-[4-(4,5,6-triphenylpyrimidin-2-yl)phenyl]phenyl]benzimidazole is sourced from PubChem (CID 155140715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).