2-[3-[2,6-bis(4-quinolin-2-ylphenyl)-4-pyridinyl]phenyl]pyrimido[1,2-a]benzimidazole

C51H32N6 — CID 148614983

IUPAC2-[3-[2,6-bis(4-quinolin-2-ylphenyl)-4-pyridinyl]phenyl]pyrimido[1,2-a]benzimidazole
SMILESc1cc(-c2cc(-c3ccc(-c4ccc5ccccc5n4)cc3)nc(-c3ccc(-c4ccc5ccccc5n4)cc3)c2)cc(-c2ccn3c(n2)nc2ccccc23)c1
InChIInChI=1S/C51H32N6/c1-3-12-42-33(8-1)24-26-44(52-42)35-16-20-37(21-17-35)48-31-41(32-49(54-48)38-22-18-36(19-23-38)45-27-25-34-9-2-4-13-43(34)53-45)39-10-7-11-40(30-39)46-28-29-57-50-15-6-5-14-47(50)56-51(57)55-46/h1-32H
InChIKeyNFCVVBMVEMUVFC-UHFFFAOYSA-N
MW728.86 g/mol
LogP12.38
Rot. Bonds6

About 2-[3-[2,6-bis(4-quinolin-2-ylphenyl)-4-pyridinyl]phenyl]pyrimido[1,2-a]benzimidazole

2-[3-[2,6-bis(4-quinolin-2-ylphenyl)-4-pyridinyl]phenyl]pyrimido[1,2-a]benzimidazole (PubChem CID 148614983) has the molecular formula C51H32N6 and a molecular weight of 728.86 g/mol. Its IUPAC name is 2-[3-[2,6-bis(4-quinolin-2-ylphenyl)-4-pyridinyl]phenyl]pyrimido[1,2-a]benzimidazole.

Molecular Properties

Compound Name2-[3-[2,6-bis(4-quinolin-2-ylphenyl)-4-pyridinyl]phenyl]pyrimido[1,2-a]benzimidazole
PubChem CID148614983
Molecular FormulaC51H32N6
Molecular Weight728.86 g/mol
Exact Mass728.27
IUPAC Name2-[3-[2,6-bis(4-quinolin-2-ylphenyl)-4-pyridinyl]phenyl]pyrimido[1,2-a]benzimidazole
SMILESc1cc(-c2cc(-c3ccc(-c4ccc5ccccc5n4)cc3)nc(-c3ccc(-c4ccc5ccccc5n4)cc3)c2)cc(-c2ccn3c(n2)nc2ccccc23)c1
InChIInChI=1S/C51H32N6/c1-3-12-42-33(8-1)24-26-44(52-42)35-16-20-37(21-17-35)48-31-41(32-49(54-48)38-22-18-36(19-23-38)45-27-25-34-9-2-4-13-43(34)53-45)39-10-7-11-40(30-39)46-28-29-57-50-15-6-5-14-47(50)56-51(57)55-46/h1-32H
InChIKeyNFCVVBMVEMUVFC-UHFFFAOYSA-N
XLogP12.38
TPSA68.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.86
LogP ≤ 512.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-pyrimido[1,2-a]benzimidazol-2-ylphenol
CID 58362501
2-[3-benzo[g]quinolin-2-yl-5-(3-quinolin-2-ylphenyl)phenyl]benzo[g]quinoline
CID 139363878
2,4-diphenyl-6-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine;2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]quinoline
CID 160919258
2-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]quinoline
CID 129265578
3-[3-[2,6-bis(4-phenylphenyl)-4-pyridinyl]-5-isoquinolin-3-ylphenyl]isoquinoline;2-[3-[2,6-bis(3-phenylphenyl)-4-pyridinyl]-5-quinolin-2-ylphenyl]quinoline;3-[3-[2,6-bis(4-pyridin-2-ylphenyl)-4-pyridinyl]-5-isoquinolin-3-ylphenyl]isoquinoline
CID 163983947
9-phenyl-3-(3-quinolin-2-ylphenyl)carbazole
CID 157225211
N-(3-fluoropropyl)-4-pyrimido[1,2-a]benzimidazol-2-ylaniline
CID 53340869
2-[4-(3-fluorophenyl)phenyl]quinoline
CID 171056461
2-(7-quinolin-2-ylnaphthalen-2-yl)quinoline
CID 176883836
2-[3-(2-phenylphenyl)phenyl]quinoline
CID 68954156
iridium;tris(2-phenylquinoline)
CID 122129463
bis(4-[4-[3-[4-[2,6-bis(4-phenylphenyl)-4-pyridinyl]phenyl]phenyl]phenyl]-2,6-bis(4-phenylphenyl)pyridine);2-[4-[4-[3-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-4,6-diphenylpyridine;4-[4-[4-[3-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-2,6-diphenylpyridine
CID 161135007

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2,6-bis(4-quinolin-2-ylphenyl)-4-pyridinyl]phenyl]pyrimido[1,2-a]benzimidazole?
The IUPAC name of 2-[3-[2,6-bis(4-quinolin-2-ylphenyl)-4-pyridinyl]phenyl]pyrimido[1,2-a]benzimidazole (CID 148614983) is 2-[3-[2,6-bis(4-quinolin-2-ylphenyl)-4-pyridinyl]phenyl]pyrimido[1,2-a]benzimidazole.
What is the SMILES notation for 2-[3-[2,6-bis(4-quinolin-2-ylphenyl)-4-pyridinyl]phenyl]pyrimido[1,2-a]benzimidazole?
The canonical SMILES for 2-[3-[2,6-bis(4-quinolin-2-ylphenyl)-4-pyridinyl]phenyl]pyrimido[1,2-a]benzimidazole is c1cc(-c2cc(-c3ccc(-c4ccc5ccccc5n4)cc3)nc(-c3ccc(-c4ccc5ccccc5n4)cc3)c2)cc(-c2ccn3c(n2)nc2ccccc23)c1.
What is the InChIKey of 2-[3-[2,6-bis(4-quinolin-2-ylphenyl)-4-pyridinyl]phenyl]pyrimido[1,2-a]benzimidazole?
The InChIKey is NFCVVBMVEMUVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N6/c1-3-12-42-33(8-1)24-26-44(52-42)35-16-20-37(21-17-35)48-31-41(32-49(54-48)38-22-18-36(19-23-38)45-27-25-34-9-2-4-13-43(34)53-45)39-10-7-11-40(30-39)46-28-29-57-50-15-6-5-14-47(50)56-51(57)55-46/h1-32H.
What are the key properties of 2-[3-[2,6-bis(4-quinolin-2-ylphenyl)-4-pyridinyl]phenyl]pyrimido[1,2-a]benzimidazole?
2-[3-[2,6-bis(4-quinolin-2-ylphenyl)-4-pyridinyl]phenyl]pyrimido[1,2-a]benzimidazole has a molecular weight of 728.86 g/mol, XLogP of 12.38, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2,6-bis(4-quinolin-2-ylphenyl)-4-pyridinyl]phenyl]pyrimido[1,2-a]benzimidazole is sourced from PubChem (CID 148614983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).