1-[1-tert-butyl-4-[4-(4-phenyl-2-pyridinyl)naphthalen-2-yl]benzimidazol-2-yl]-9H-carbazole

C44H34N4 — CID 140934353

IUPAC1-[1-tert-butyl-4-[4-(4-phenyl-2-pyridinyl)naphthalen-2-yl]benzimidazol-2-yl]-9H-carbazole
SMILESCC(C)(C)n1c(-c2cccc3c2[nH]c2ccccc23)nc2c(-c3cc(-c4cc(-c5ccccc5)ccn4)c4ccccc4c3)cccc21
InChIInChI=1S/C44H34N4/c1-44(2,3)48-40-22-12-18-33(42(40)47-43(48)36-20-11-19-35-34-17-9-10-21-38(34)46-41(35)36)31-25-30-15-7-8-16-32(30)37(26-31)39-27-29(23-24-45-39)28-13-5-4-6-14-28/h4-27,46H,1-3H3
InChIKeyZZIPDFXPYMATHJ-UHFFFAOYSA-N
MW618.78 g/mol
LogP11.64
Rot. Bonds4

About 1-[1-tert-butyl-4-[4-(4-phenyl-2-pyridinyl)naphthalen-2-yl]benzimidazol-2-yl]-9H-carbazole

1-[1-tert-butyl-4-[4-(4-phenyl-2-pyridinyl)naphthalen-2-yl]benzimidazol-2-yl]-9H-carbazole (PubChem CID 140934353) has the molecular formula C44H34N4 and a molecular weight of 618.78 g/mol. Its IUPAC name is 1-[1-tert-butyl-4-[4-(4-phenyl-2-pyridinyl)naphthalen-2-yl]benzimidazol-2-yl]-9H-carbazole.

Molecular Properties

Compound Name1-[1-tert-butyl-4-[4-(4-phenyl-2-pyridinyl)naphthalen-2-yl]benzimidazol-2-yl]-9H-carbazole
PubChem CID140934353
Molecular FormulaC44H34N4
Molecular Weight618.78 g/mol
Exact Mass618.28
IUPAC Name1-[1-tert-butyl-4-[4-(4-phenyl-2-pyridinyl)naphthalen-2-yl]benzimidazol-2-yl]-9H-carbazole
SMILESCC(C)(C)n1c(-c2cccc3c2[nH]c2ccccc23)nc2c(-c3cc(-c4cc(-c5ccccc5)ccn4)c4ccccc4c3)cccc21
InChIInChI=1S/C44H34N4/c1-44(2,3)48-40-22-12-18-33(42(40)47-43(48)36-20-11-19-35-34-17-9-10-21-38(34)46-41(35)36)31-25-30-15-7-8-16-32(30)37(26-31)39-27-29(23-24-45-39)28-13-5-4-6-14-28/h4-27,46H,1-3H3
InChIKeyZZIPDFXPYMATHJ-UHFFFAOYSA-N
XLogP11.64
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.78
LogP ≤ 511.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[1-tert-butyl-2-(9H-carbazol-1-yl)benzimidazol-4-yl]phenyl]-[1]benzofuro[2,3-c]pyridine
CID 140934381
1-[1-naphthalen-1-yl-4-(4-pyridin-2-ylnaphthalen-2-yl)benzimidazol-2-yl]-9H-carbazole
CID 140934480
3-tert-butyl-1-[1-naphthalen-1-yl-4-(4-pyridin-2-ylnaphthalen-2-yl)benzimidazol-2-yl]-9H-carbazole
CID 140934574
1-[4-[3-(4-tert-butyl-2-pyridinyl)phenyl]-1-methylbenzimidazol-2-yl]-9H-carbazole
CID 140934236
1-[1-phenyl-4-(3-pyridin-2-ylnaphthalen-1-yl)benzimidazol-2-yl]-9H-carbazole
CID 140934222
1-[1-methyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]-9H-carbazole
CID 140934482
1-[6-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]-4-quinolin-8-yl-2-pyridinyl]-9H-carbazole
CID 140854140
1-(4-pyridin-4-yl-2-pyridinyl)-9H-carbazole
CID 141396420
3,6-ditert-butyl-1-[4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]-1-propan-2-ylbenzimidazol-2-yl]-9H-carbazole
CID 140934602
3-tert-butyl-1-[4-[3-(4-tert-butyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]-9H-carbazole
CID 140934417
3,6-ditert-butyl-1-[1-tert-butyl-4-(3-isoquinolin-3-ylphenyl)benzimidazol-2-yl]-9H-carbazole
CID 140934271
4-[4-[3-tert-butyl-5-[4-(9H-carbazol-1-yl)-2-pyridinyl]phenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]pyridin-3-ol
CID 177094124

Frequently Asked Questions

What is the IUPAC name of 1-[1-tert-butyl-4-[4-(4-phenyl-2-pyridinyl)naphthalen-2-yl]benzimidazol-2-yl]-9H-carbazole?
The IUPAC name of 1-[1-tert-butyl-4-[4-(4-phenyl-2-pyridinyl)naphthalen-2-yl]benzimidazol-2-yl]-9H-carbazole (CID 140934353) is 1-[1-tert-butyl-4-[4-(4-phenyl-2-pyridinyl)naphthalen-2-yl]benzimidazol-2-yl]-9H-carbazole.
What is the SMILES notation for 1-[1-tert-butyl-4-[4-(4-phenyl-2-pyridinyl)naphthalen-2-yl]benzimidazol-2-yl]-9H-carbazole?
The canonical SMILES for 1-[1-tert-butyl-4-[4-(4-phenyl-2-pyridinyl)naphthalen-2-yl]benzimidazol-2-yl]-9H-carbazole is CC(C)(C)n1c(-c2cccc3c2[nH]c2ccccc23)nc2c(-c3cc(-c4cc(-c5ccccc5)ccn4)c4ccccc4c3)cccc21.
What is the InChIKey of 1-[1-tert-butyl-4-[4-(4-phenyl-2-pyridinyl)naphthalen-2-yl]benzimidazol-2-yl]-9H-carbazole?
The InChIKey is ZZIPDFXPYMATHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H34N4/c1-44(2,3)48-40-22-12-18-33(42(40)47-43(48)36-20-11-19-35-34-17-9-10-21-38(34)46-41(35)36)31-25-30-15-7-8-16-32(30)37(26-31)39-27-29(23-24-45-39)28-13-5-4-6-14-28/h4-27,46H,1-3H3.
What are the key properties of 1-[1-tert-butyl-4-[4-(4-phenyl-2-pyridinyl)naphthalen-2-yl]benzimidazol-2-yl]-9H-carbazole?
1-[1-tert-butyl-4-[4-(4-phenyl-2-pyridinyl)naphthalen-2-yl]benzimidazol-2-yl]-9H-carbazole has a molecular weight of 618.78 g/mol, XLogP of 11.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-tert-butyl-4-[4-(4-phenyl-2-pyridinyl)naphthalen-2-yl]benzimidazol-2-yl]-9H-carbazole is sourced from PubChem (CID 140934353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).