1-[4-[3-(4-tert-butyl-2-pyridinyl)phenyl]-1-methylbenzimidazol-2-yl]-9H-carbazole

C35H30N4 — CID 140934236

IUPAC1-[4-[3-(4-tert-butyl-2-pyridinyl)phenyl]-1-methylbenzimidazol-2-yl]-9H-carbazole
SMILESCn1c(-c2cccc3c2[nH]c2ccccc23)nc2c(-c3cccc(-c4cc(C(C)(C)C)ccn4)c3)cccc21
InChIInChI=1S/C35H30N4/c1-35(2,3)24-18-19-36-30(21-24)23-11-7-10-22(20-23)25-13-9-17-31-33(25)38-34(39(31)4)28-15-8-14-27-26-12-5-6-16-29(26)37-32(27)28/h5-21,37H,1-4H3
InChIKeyMJDNUAXLQQLRSI-UHFFFAOYSA-N
MW506.65 g/mol
LogP8.90
Rot. Bonds3

About 1-[4-[3-(4-tert-butyl-2-pyridinyl)phenyl]-1-methylbenzimidazol-2-yl]-9H-carbazole

1-[4-[3-(4-tert-butyl-2-pyridinyl)phenyl]-1-methylbenzimidazol-2-yl]-9H-carbazole (PubChem CID 140934236) has the molecular formula C35H30N4 and a molecular weight of 506.65 g/mol. Its IUPAC name is 1-[4-[3-(4-tert-butyl-2-pyridinyl)phenyl]-1-methylbenzimidazol-2-yl]-9H-carbazole.

Molecular Properties

Compound Name1-[4-[3-(4-tert-butyl-2-pyridinyl)phenyl]-1-methylbenzimidazol-2-yl]-9H-carbazole
PubChem CID140934236
Molecular FormulaC35H30N4
Molecular Weight506.65 g/mol
Exact Mass506.25
IUPAC Name1-[4-[3-(4-tert-butyl-2-pyridinyl)phenyl]-1-methylbenzimidazol-2-yl]-9H-carbazole
SMILESCn1c(-c2cccc3c2[nH]c2ccccc23)nc2c(-c3cccc(-c4cc(C(C)(C)C)ccn4)c3)cccc21
InChIInChI=1S/C35H30N4/c1-35(2,3)24-18-19-36-30(21-24)23-11-7-10-22(20-23)25-13-9-17-31-33(25)38-34(39(31)4)28-15-8-14-27-26-12-5-6-16-29(26)37-32(27)28/h5-21,37H,1-4H3
InChIKeyMJDNUAXLQQLRSI-UHFFFAOYSA-N
XLogP8.90
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.65
LogP ≤ 58.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-methyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]-9H-carbazole
CID 140934482
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-[4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]-1-propan-2-ylbenzimidazol-2-yl]-9H-carbazole
CID 140934602
1-[3-[2-(3,6-ditert-butyl-9H-carbazol-1-yl)-1-methylbenzimidazol-4-yl]phenyl]-[1]benzofuro[2,3-c]pyridine
CID 140934467
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
1-[1-tert-butyl-4-[4-(4-phenyl-2-pyridinyl)naphthalen-2-yl]benzimidazol-2-yl]-9H-carbazole
CID 140934353
3-tert-butyl-1-[4-(3-isoquinolin-1-ylphenyl)-1-naphthalen-1-ylbenzimidazol-2-yl]-9H-carbazole
CID 140934174
1-[4-tert-butyl-6-(3-tert-butylphenyl)-2-pyridinyl]-8-(4-tert-butyl-2-pyridinyl)-9H-carbazole
CID 140902425
1-[3-[1-tert-butyl-2-(9H-carbazol-1-yl)benzimidazol-4-yl]phenyl]-[1]benzofuro[2,3-c]pyridine
CID 140934381
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
3,6-ditert-butyl-1-[1-tert-butyl-4-(3-isoquinolin-3-ylphenyl)benzimidazol-2-yl]-9H-carbazole
CID 140934271
9-(4-tert-butyl-2-pyridinyl)-2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-6-[2,6-di(propan-2-yl)phenyl]carbazole
CID 176642782

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(4-tert-butyl-2-pyridinyl)phenyl]-1-methylbenzimidazol-2-yl]-9H-carbazole?
The IUPAC name of 1-[4-[3-(4-tert-butyl-2-pyridinyl)phenyl]-1-methylbenzimidazol-2-yl]-9H-carbazole (CID 140934236) is 1-[4-[3-(4-tert-butyl-2-pyridinyl)phenyl]-1-methylbenzimidazol-2-yl]-9H-carbazole.
What is the SMILES notation for 1-[4-[3-(4-tert-butyl-2-pyridinyl)phenyl]-1-methylbenzimidazol-2-yl]-9H-carbazole?
The canonical SMILES for 1-[4-[3-(4-tert-butyl-2-pyridinyl)phenyl]-1-methylbenzimidazol-2-yl]-9H-carbazole is Cn1c(-c2cccc3c2[nH]c2ccccc23)nc2c(-c3cccc(-c4cc(C(C)(C)C)ccn4)c3)cccc21.
What is the InChIKey of 1-[4-[3-(4-tert-butyl-2-pyridinyl)phenyl]-1-methylbenzimidazol-2-yl]-9H-carbazole?
The InChIKey is MJDNUAXLQQLRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H30N4/c1-35(2,3)24-18-19-36-30(21-24)23-11-7-10-22(20-23)25-13-9-17-31-33(25)38-34(39(31)4)28-15-8-14-27-26-12-5-6-16-29(26)37-32(27)28/h5-21,37H,1-4H3.
What are the key properties of 1-[4-[3-(4-tert-butyl-2-pyridinyl)phenyl]-1-methylbenzimidazol-2-yl]-9H-carbazole?
1-[4-[3-(4-tert-butyl-2-pyridinyl)phenyl]-1-methylbenzimidazol-2-yl]-9H-carbazole has a molecular weight of 506.65 g/mol, XLogP of 8.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(4-tert-butyl-2-pyridinyl)phenyl]-1-methylbenzimidazol-2-yl]-9H-carbazole is sourced from PubChem (CID 140934236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).