3-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9,9-dimethyl-6-phenyl-10-pyridin-2-ylacridine

C51H37N5 — CID 176643376

IUPAC3-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9,9-dimethyl-6-phenyl-10-pyridin-2-ylacridine
SMILESCC1(C)c2ccc(-c3ccccc3)cc2N(c2ccccn2)c2cc(-c3cccc4c3nc(-c3cccc5c3[nH]c3ccccc35)n4-c3ccccc3)ccc21
InChIInChI=1S/C51H37N5/c1-51(2)41-28-26-34(33-15-5-3-6-16-33)31-45(41)56(47-25-11-12-30-52-47)46-32-35(27-29-42(46)51)37-20-14-24-44-49(37)54-50(55(44)36-17-7-4-8-18-36)40-22-13-21-39-38-19-9-10-23-43(38)53-48(39)40/h3-32,53H,1-2H3
InChIKeyBSGGPPFRKGLTGR-UHFFFAOYSA-N
MW719.89 g/mol
LogP13.17
Rot. Bonds5

About 3-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9,9-dimethyl-6-phenyl-10-pyridin-2-ylacridine

3-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9,9-dimethyl-6-phenyl-10-pyridin-2-ylacridine (PubChem CID 176643376) has the molecular formula C51H37N5 and a molecular weight of 719.89 g/mol. Its IUPAC name is 3-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9,9-dimethyl-6-phenyl-10-pyridin-2-ylacridine.

Molecular Properties

Compound Name3-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9,9-dimethyl-6-phenyl-10-pyridin-2-ylacridine
PubChem CID176643376
Molecular FormulaC51H37N5
Molecular Weight719.89 g/mol
Exact Mass719.30
IUPAC Name3-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9,9-dimethyl-6-phenyl-10-pyridin-2-ylacridine
SMILESCC1(C)c2ccc(-c3ccccc3)cc2N(c2ccccn2)c2cc(-c3cccc4c3nc(-c3cccc5c3[nH]c3ccccc35)n4-c3ccccc3)ccc21
InChIInChI=1S/C51H37N5/c1-51(2)41-28-26-34(33-15-5-3-6-16-33)31-45(41)56(47-25-11-12-30-52-47)46-32-35(27-29-42(46)51)37-20-14-24-44-49(37)54-50(55(44)36-17-7-4-8-18-36)40-22-13-21-39-38-19-9-10-23-43(38)53-48(39)40/h3-32,53H,1-2H3
InChIKeyBSGGPPFRKGLTGR-UHFFFAOYSA-N
XLogP13.17
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.89
LogP ≤ 513.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,5-dimethyl-10-[3-[2-(3-phenyl-9H-carbazol-1-yl)-1-(3-phenylphenyl)benzimidazol-4-yl]phenyl]benzo[b][1,8]naphthyridine
CID 176643463
2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-pyridin-2-yl-6-pyridin-4-ylcarbazole
CID 176642525
2-[2-(9H-carbazol-1-yl)-1-(3-methylphenyl)benzimidazol-4-yl]-9-pyridin-2-ylcarbazole
CID 176643522
2-[2-(9H-carbazol-1-yl)-6-methyl-1-phenylbenzimidazol-4-yl]-9-pyridin-2-ylcarbazole
CID 176642444
7-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-3-[difluoro(phenyl)methyl]-1-methyl-9-pyridin-2-ylcarbazole
CID 176643262
2-[2-(9H-carbazol-1-yl)-1-[3-(2-phenylpropan-2-yl)phenyl]benzimidazol-4-yl]-9-pyridin-2-ylcarbazole
CID 176642564
2-[2-(9H-carbazol-1-yl)-1-(3,4-dimethylphenyl)benzimidazol-4-yl]-9-pyridin-2-ylcarbazole
CID 176642472
1-[1-phenyl-4-(3-pyridin-2-ylnaphthalen-1-yl)benzimidazol-2-yl]-9H-carbazole
CID 140934222
2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]carbazole
CID 176643299
2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-(4-methyl-2-pyridinyl)-7-(2-phenylpropan-2-yl)carbazole
CID 176642732
9,9-dimethyl-3-[6-methyl-1-phenyl-2-[4-(2,4,6-trimethylphenyl)-9H-carbazol-1-yl]benzimidazol-4-yl]-10-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]acridine
CID 176643108
6-tert-butyl-2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-(4-propan-2-yl-2-pyridinyl)carbazole
CID 176643493

Frequently Asked Questions

What is the IUPAC name of 3-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9,9-dimethyl-6-phenyl-10-pyridin-2-ylacridine?
The IUPAC name of 3-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9,9-dimethyl-6-phenyl-10-pyridin-2-ylacridine (CID 176643376) is 3-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9,9-dimethyl-6-phenyl-10-pyridin-2-ylacridine.
What is the SMILES notation for 3-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9,9-dimethyl-6-phenyl-10-pyridin-2-ylacridine?
The canonical SMILES for 3-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9,9-dimethyl-6-phenyl-10-pyridin-2-ylacridine is CC1(C)c2ccc(-c3ccccc3)cc2N(c2ccccn2)c2cc(-c3cccc4c3nc(-c3cccc5c3[nH]c3ccccc35)n4-c3ccccc3)ccc21.
What is the InChIKey of 3-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9,9-dimethyl-6-phenyl-10-pyridin-2-ylacridine?
The InChIKey is BSGGPPFRKGLTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H37N5/c1-51(2)41-28-26-34(33-15-5-3-6-16-33)31-45(41)56(47-25-11-12-30-52-47)46-32-35(27-29-42(46)51)37-20-14-24-44-49(37)54-50(55(44)36-17-7-4-8-18-36)40-22-13-21-39-38-19-9-10-23-43(38)53-48(39)40/h3-32,53H,1-2H3.
What are the key properties of 3-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9,9-dimethyl-6-phenyl-10-pyridin-2-ylacridine?
3-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9,9-dimethyl-6-phenyl-10-pyridin-2-ylacridine has a molecular weight of 719.89 g/mol, XLogP of 13.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9,9-dimethyl-6-phenyl-10-pyridin-2-ylacridine is sourced from PubChem (CID 176643376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).