6-[3,5-di(carbazol-9-yl)phenyl]-8-phenyl-4a,5-dihydropyrido[1,2-a]benzimidazole

C47H32N4 — CID 155469135

IUPAC6-[3,5-di(carbazol-9-yl)phenyl]-8-phenyl-4a,5-dihydropyrido[1,2-a]benzimidazole
SMILESC1=CC2Nc3c(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)cc(-c4ccccc4)cc3N2C=C1
InChIInChI=1S/C47H32N4/c1-2-14-31(15-3-1)32-28-40(47-45(29-32)49-25-13-12-24-46(49)48-47)33-26-34(50-41-20-8-4-16-36(41)37-17-5-9-21-42(37)50)30-35(27-33)51-43-22-10-6-18-38(43)39-19-7-11-23-44(39)51/h1-30,46,48H
InChIKeyKOSJYLNRDXPDIR-UHFFFAOYSA-N
MW652.80 g/mol
LogP11.86
Rot. Bonds4

About 6-[3,5-di(carbazol-9-yl)phenyl]-8-phenyl-4a,5-dihydropyrido[1,2-a]benzimidazole

6-[3,5-di(carbazol-9-yl)phenyl]-8-phenyl-4a,5-dihydropyrido[1,2-a]benzimidazole (PubChem CID 155469135) has the molecular formula C47H32N4 and a molecular weight of 652.80 g/mol. Its IUPAC name is 6-[3,5-di(carbazol-9-yl)phenyl]-8-phenyl-4a,5-dihydropyrido[1,2-a]benzimidazole.

Molecular Properties

Compound Name6-[3,5-di(carbazol-9-yl)phenyl]-8-phenyl-4a,5-dihydropyrido[1,2-a]benzimidazole
PubChem CID155469135
Molecular FormulaC47H32N4
Molecular Weight652.80 g/mol
Exact Mass652.26
IUPAC Name6-[3,5-di(carbazol-9-yl)phenyl]-8-phenyl-4a,5-dihydropyrido[1,2-a]benzimidazole
SMILESC1=CC2Nc3c(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)cc(-c4ccccc4)cc3N2C=C1
InChIInChI=1S/C47H32N4/c1-2-14-31(15-3-1)32-28-40(47-45(29-32)49-25-13-12-24-46(49)48-47)33-26-34(50-41-20-8-4-16-36(41)37-17-5-9-21-42(37)50)30-35(27-33)51-43-22-10-6-18-38(43)39-19-7-11-23-44(39)51/h1-30,46,48H
InChIKeyKOSJYLNRDXPDIR-UHFFFAOYSA-N
XLogP11.86
TPSA25.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.80
LogP ≤ 511.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9-[3-carbazol-9-yl-5-(2-phenyl-1,8a-dihydroimidazo[1,2-a]pyridin-3-yl)phenyl]carbazole
CID 137469167
8-[4-(4-isocyanophenyl)phenyl]-6-(10-phenylphenanthren-9-yl)-4a,5-dihydropyrido[1,2-a]benzimidazole
CID 155764162
9-[3-carbazol-9-yl-5-(3-carbazol-9-yl-5-phenylphenyl)phenyl]carbazole
CID 58769488
9-[3-carbazol-9-yl-5-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]carbazole
CID 176740225
9-(3,5-diphenylphenyl)carbazole
CID 86068368
9-[3,5-bis(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[3-carbazol-9-yl-5-(3,5-diphenylphenyl)phenyl]carbazole
CID 165005814
9-[3-[3,5-bis[3,5-di(carbazol-9-yl)phenyl]phenyl]-5-carbazol-9-ylphenyl]carbazole
CID 102341656
9-[3-carbazol-9-yl-5-(3,5-diphenylphenyl)phenyl]carbazole;9-(3-carbazol-9-ylphenyl)carbazole;9-[4-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]carbazole
CID 161148569
9-[3-carbazol-9-yl-5-(4-carbazol-9-ylphenyl)phenyl]carbazole;9-(3-carbazol-9-yl-5-phenanthren-9-ylphenyl)carbazole;9-[3-(4-carbazol-9-ylphenyl)-5-(4-phenylphenyl)phenyl]carbazole;9-[4-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]-5-phenylphenyl]phenyl]carbazole
CID 159689143
9-[3,5-bis(3-phenylcarbazol-9-yl)phenyl]-3-phenylcarbazole
CID 59399106
9-[3-(2-tert-butyl-3-phenylindol-1-yl)-5-phenylphenyl]carbazole
CID 144848681
3,5-di(carbazol-9-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 164822811

Frequently Asked Questions

What is the IUPAC name of 6-[3,5-di(carbazol-9-yl)phenyl]-8-phenyl-4a,5-dihydropyrido[1,2-a]benzimidazole?
The IUPAC name of 6-[3,5-di(carbazol-9-yl)phenyl]-8-phenyl-4a,5-dihydropyrido[1,2-a]benzimidazole (CID 155469135) is 6-[3,5-di(carbazol-9-yl)phenyl]-8-phenyl-4a,5-dihydropyrido[1,2-a]benzimidazole.
What is the SMILES notation for 6-[3,5-di(carbazol-9-yl)phenyl]-8-phenyl-4a,5-dihydropyrido[1,2-a]benzimidazole?
The canonical SMILES for 6-[3,5-di(carbazol-9-yl)phenyl]-8-phenyl-4a,5-dihydropyrido[1,2-a]benzimidazole is C1=CC2Nc3c(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)cc(-c4ccccc4)cc3N2C=C1.
What is the InChIKey of 6-[3,5-di(carbazol-9-yl)phenyl]-8-phenyl-4a,5-dihydropyrido[1,2-a]benzimidazole?
The InChIKey is KOSJYLNRDXPDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32N4/c1-2-14-31(15-3-1)32-28-40(47-45(29-32)49-25-13-12-24-46(49)48-47)33-26-34(50-41-20-8-4-16-36(41)37-17-5-9-21-42(37)50)30-35(27-33)51-43-22-10-6-18-38(43)39-19-7-11-23-44(39)51/h1-30,46,48H.
What are the key properties of 6-[3,5-di(carbazol-9-yl)phenyl]-8-phenyl-4a,5-dihydropyrido[1,2-a]benzimidazole?
6-[3,5-di(carbazol-9-yl)phenyl]-8-phenyl-4a,5-dihydropyrido[1,2-a]benzimidazole has a molecular weight of 652.80 g/mol, XLogP of 11.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3,5-di(carbazol-9-yl)phenyl]-8-phenyl-4a,5-dihydropyrido[1,2-a]benzimidazole is sourced from PubChem (CID 155469135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).