6-[3-(3,5-diphenylphenyl)phenyl]-4a,11a-dihydrobenzimidazolo[1,2-a]benzimidazole

C37H27N3 — CID 121336184

IUPAC6-[3-(3,5-diphenylphenyl)phenyl]-4a,11a-dihydrobenzimidazolo[1,2-a]benzimidazole
SMILESC1=CC2N=C3N(c4cccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)c4)c4ccccc4N3C2C=C1
InChIInChI=1S/C37H27N3/c1-3-12-26(13-4-1)29-22-30(27-14-5-2-6-15-27)24-31(23-29)28-16-11-17-32(25-28)39-35-20-9-10-21-36(35)40-34-19-8-7-18-33(34)38-37(39)40/h1-25,33-34H
InChIKeyDHEUPHFQWMCYCH-UHFFFAOYSA-N
MW513.64 g/mol
LogP8.88
Rot. Bonds4

About 6-[3-(3,5-diphenylphenyl)phenyl]-4a,11a-dihydrobenzimidazolo[1,2-a]benzimidazole

6-[3-(3,5-diphenylphenyl)phenyl]-4a,11a-dihydrobenzimidazolo[1,2-a]benzimidazole (PubChem CID 121336184) has the molecular formula C37H27N3 and a molecular weight of 513.64 g/mol. Its IUPAC name is 6-[3-(3,5-diphenylphenyl)phenyl]-4a,11a-dihydrobenzimidazolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name6-[3-(3,5-diphenylphenyl)phenyl]-4a,11a-dihydrobenzimidazolo[1,2-a]benzimidazole
PubChem CID121336184
Molecular FormulaC37H27N3
Molecular Weight513.64 g/mol
Exact Mass513.22
IUPAC Name6-[3-(3,5-diphenylphenyl)phenyl]-4a,11a-dihydrobenzimidazolo[1,2-a]benzimidazole
SMILESC1=CC2N=C3N(c4cccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)c4)c4ccccc4N3C2C=C1
InChIInChI=1S/C37H27N3/c1-3-12-26(13-4-1)29-22-30(27-14-5-2-6-15-27)24-31(23-29)28-16-11-17-32(25-28)39-35-20-9-10-21-36(35)40-34-19-8-7-18-33(34)38-37(39)40/h1-25,33-34H
InChIKeyDHEUPHFQWMCYCH-UHFFFAOYSA-N
XLogP8.88
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.64
LogP ≤ 58.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-10-phenylphenazine
CID 153293260
2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-1-phenyl-3a,7a-dihydrobenzimidazole
CID 145202397
2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenyl-3a,7a-dihydrobenzimidazole
CID 145390952
9,9-dimethyl-10-[3-(3-pyridin-3-ylphenyl)phenyl]-4a,9a-dihydroacridine
CID 130326840
6-[4-[4-(10,10-dimethylbenzo[b][1,4]benzothiasilin-4-yl)-2,5-bis(trideuteriomethyl)phenyl]-3-(trideuteriomethyl)phenyl]-4a,11a-dihydrobenzimidazolo[1,2-a]benzimidazole
CID 140920031
6-bromo-9-(3-phenylphenyl)-4a,9a-dihydrocarbazole
CID 123494743
10-[4-(1-phenyl-3a,7a-dihydrobenzimidazol-2-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]
CID 90246685
8-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-8,15,22-triazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(22),2,4,6,9,11,13,17,19-nonaene
CID 129311301
9,9-dimethyl-10-[3-(2-phenyl-3-pyridinyl)phenyl]-4a,9a-dihydroacridine
CID 130326838
1-(3-phenylphenyl)-3,5-bis[3-(3-phenylphenyl)phenyl]benzene
CID 177124488
22-phenyl-8-[3-(4-phenylphenyl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),3,5,9,11,13,16,18,20-nonaene
CID 129301370
9-(3,5-diphenylphenyl)-4-[9-(4-phenylphenyl)-4b,8a-dihydrocarbazol-4-yl]carbazole
CID 175616668

Frequently Asked Questions

What is the IUPAC name of 6-[3-(3,5-diphenylphenyl)phenyl]-4a,11a-dihydrobenzimidazolo[1,2-a]benzimidazole?
The IUPAC name of 6-[3-(3,5-diphenylphenyl)phenyl]-4a,11a-dihydrobenzimidazolo[1,2-a]benzimidazole (CID 121336184) is 6-[3-(3,5-diphenylphenyl)phenyl]-4a,11a-dihydrobenzimidazolo[1,2-a]benzimidazole.
What is the SMILES notation for 6-[3-(3,5-diphenylphenyl)phenyl]-4a,11a-dihydrobenzimidazolo[1,2-a]benzimidazole?
The canonical SMILES for 6-[3-(3,5-diphenylphenyl)phenyl]-4a,11a-dihydrobenzimidazolo[1,2-a]benzimidazole is C1=CC2N=C3N(c4cccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)c4)c4ccccc4N3C2C=C1.
What is the InChIKey of 6-[3-(3,5-diphenylphenyl)phenyl]-4a,11a-dihydrobenzimidazolo[1,2-a]benzimidazole?
The InChIKey is DHEUPHFQWMCYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H27N3/c1-3-12-26(13-4-1)29-22-30(27-14-5-2-6-15-27)24-31(23-29)28-16-11-17-32(25-28)39-35-20-9-10-21-36(35)40-34-19-8-7-18-33(34)38-37(39)40/h1-25,33-34H.
What are the key properties of 6-[3-(3,5-diphenylphenyl)phenyl]-4a,11a-dihydrobenzimidazolo[1,2-a]benzimidazole?
6-[3-(3,5-diphenylphenyl)phenyl]-4a,11a-dihydrobenzimidazolo[1,2-a]benzimidazole has a molecular weight of 513.64 g/mol, XLogP of 8.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(3,5-diphenylphenyl)phenyl]-4a,11a-dihydrobenzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 121336184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).