5,5-dimethyl-10-[3-[2-(3-phenyl-9H-carbazol-1-yl)-1-(3-phenylphenyl)benzimidazol-4-yl]phenyl]benzo[b][1,8]naphthyridine

C57H41N5 — CID 176643463

IUPAC5,5-dimethyl-10-[3-[2-(3-phenyl-9H-carbazol-1-yl)-1-(3-phenylphenyl)benzimidazol-4-yl]phenyl]benzo[b][1,8]naphthyridine
SMILESCC1(C)c2ccccc2N(c2cccc(-c3cccc4c3nc(-c3cc(-c5ccccc5)cc5c3[nH]c3ccccc35)n4-c3cccc(-c4ccccc4)c3)c2)c2ncccc21
InChIInChI=1S/C57H41N5/c1-57(2)48-27-10-12-30-51(48)61(56-49(57)28-16-32-58-56)43-24-14-22-40(34-43)44-26-15-31-52-54(44)60-55(62(52)42-23-13-21-39(33-42)37-17-5-3-6-18-37)47-36-41(38-19-7-4-8-20-38)35-46-45-25-9-11-29-50(45)59-53(46)47/h3-36,59H,1-2H3
InChIKeyXNQLWRHEYABALF-UHFFFAOYSA-N
MW795.99 g/mol
LogP14.83
Rot. Bonds6

About 5,5-dimethyl-10-[3-[2-(3-phenyl-9H-carbazol-1-yl)-1-(3-phenylphenyl)benzimidazol-4-yl]phenyl]benzo[b][1,8]naphthyridine

5,5-dimethyl-10-[3-[2-(3-phenyl-9H-carbazol-1-yl)-1-(3-phenylphenyl)benzimidazol-4-yl]phenyl]benzo[b][1,8]naphthyridine (PubChem CID 176643463) has the molecular formula C57H41N5 and a molecular weight of 795.99 g/mol. Its IUPAC name is 5,5-dimethyl-10-[3-[2-(3-phenyl-9H-carbazol-1-yl)-1-(3-phenylphenyl)benzimidazol-4-yl]phenyl]benzo[b][1,8]naphthyridine.

Molecular Properties

Compound Name5,5-dimethyl-10-[3-[2-(3-phenyl-9H-carbazol-1-yl)-1-(3-phenylphenyl)benzimidazol-4-yl]phenyl]benzo[b][1,8]naphthyridine
PubChem CID176643463
Molecular FormulaC57H41N5
Molecular Weight795.99 g/mol
Exact Mass795.34
IUPAC Name5,5-dimethyl-10-[3-[2-(3-phenyl-9H-carbazol-1-yl)-1-(3-phenylphenyl)benzimidazol-4-yl]phenyl]benzo[b][1,8]naphthyridine
SMILESCC1(C)c2ccccc2N(c2cccc(-c3cccc4c3nc(-c3cc(-c5ccccc5)cc5c3[nH]c3ccccc35)n4-c3cccc(-c4ccccc4)c3)c2)c2ncccc21
InChIInChI=1S/C57H41N5/c1-57(2)48-27-10-12-30-51(48)61(56-49(57)28-16-32-58-56)43-24-14-22-40(34-43)44-26-15-31-52-54(44)60-55(62(52)42-23-13-21-39(33-42)37-17-5-3-6-18-37)47-36-41(38-19-7-4-8-20-38)35-46-45-25-9-11-29-50(45)59-53(46)47/h3-36,59H,1-2H3
InChIKeyXNQLWRHEYABALF-UHFFFAOYSA-N
XLogP14.83
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.99
LogP ≤ 514.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9,9-dimethyl-6-phenyl-10-pyridin-2-ylacridine
CID 176643376
2-[2-(9H-carbazol-1-yl)-1-(3-methylphenyl)benzimidazol-4-yl]-9-pyridin-2-ylcarbazole
CID 176643522
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-pyridin-2-yl-6-pyridin-4-ylcarbazole
CID 176642525
3-tert-butyl-1-[4-[3-(4-tert-butyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]-9H-carbazole
CID 140934417
2-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-7-[1-(4-methylphenyl)-2-(3-phenyl-9H-carbazol-1-yl)benzimidazol-4-yl]carbazole
CID 176643042
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-naphthalen-1-yl-4-(4-pyridin-2-ylnaphthalen-2-yl)benzimidazol-2-yl]-9H-carbazole
CID 140934480
3-tert-butyl-1-[4-(3-isoquinolin-1-ylphenyl)-1-naphthalen-1-ylbenzimidazol-2-yl]-9H-carbazole
CID 140934174
2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-(4-methyl-2-pyridinyl)-7-(2-phenylpropan-2-yl)carbazole
CID 176642732
1-[1-methyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]-9H-carbazole
CID 140934482

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-10-[3-[2-(3-phenyl-9H-carbazol-1-yl)-1-(3-phenylphenyl)benzimidazol-4-yl]phenyl]benzo[b][1,8]naphthyridine?
The IUPAC name of 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) is 5,5-dimethyl-10-[3-[2-(3-phenyl-9H-carbazol-1-yl)-1-(3-phenylphenyl)benzimidazol-4-yl]phenyl]benzo[b][1,8]naphthyridine.
What is the SMILES notation for 5,5-dimethyl-10-[3-[2-(3-phenyl-9H-carbazol-1-yl)-1-(3-phenylphenyl)benzimidazol-4-yl]phenyl]benzo[b][1,8]naphthyridine?
The canonical SMILES for 5,5-dimethyl-10-[3-[2-(3-phenyl-9H-carbazol-1-yl)-1-(3-phenylphenyl)benzimidazol-4-yl]phenyl]benzo[b][1,8]naphthyridine is CC1(C)c2ccccc2N(c2cccc(-c3cccc4c3nc(-c3cc(-c5ccccc5)cc5c3[nH]c3ccccc35)n4-c3cccc(-c4ccccc4)c3)c2)c2ncccc21.
What is the InChIKey of 5,5-dimethyl-10-[3-[2-(3-phenyl-9H-carbazol-1-yl)-1-(3-phenylphenyl)benzimidazol-4-yl]phenyl]benzo[b][1,8]naphthyridine?
The InChIKey is XNQLWRHEYABALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H41N5/c1-57(2)48-27-10-12-30-51(48)61(56-49(57)28-16-32-58-56)43-24-14-22-40(34-43)44-26-15-31-52-54(44)60-55(62(52)42-23-13-21-39(33-42)37-17-5-3-6-18-37)47-36-41(38-19-7-4-8-20-38)35-46-45-25-9-11-29-50(45)59-53(46)47/h3-36,59H,1-2H3.
What are the key properties of 5,5-dimethyl-10-[3-[2-(3-phenyl-9H-carbazol-1-yl)-1-(3-phenylphenyl)benzimidazol-4-yl]phenyl]benzo[b][1,8]naphthyridine?
5,5-dimethyl-10-[3-[2-(3-phenyl-9H-carbazol-1-yl)-1-(3-phenylphenyl)benzimidazol-4-yl]phenyl]benzo[b][1,8]naphthyridine has a molecular weight of 795.99 g/mol, XLogP of 14.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-10-[3-[2-(3-phenyl-9H-carbazol-1-yl)-1-(3-phenylphenyl)benzimidazol-4-yl]phenyl]benzo[b][1,8]naphthyridine is sourced from PubChem (CID 176643463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).