2-[3-tert-butyl-5-(5-tert-butyl-3-methyl-2H-benzimidazol-1-yl)phenyl]sulfonyl-9-(4-tert-butyl-2-pyridinyl)carbazole

C43H48N4O2S — CID 155606505

IUPAC2-[3-tert-butyl-5-(5-tert-butyl-3-methyl-2H-benzimidazol-1-yl)phenyl]sulfonyl-9-(4-tert-butyl-2-pyridinyl)carbazole
SMILESCN1CN(c2cc(C(C)(C)C)cc(S(=O)(=O)c3ccc4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)c2)c2ccc(C(C)(C)C)cc21
InChIInChI=1S/C43H48N4O2S/c1-41(2,3)28-15-18-37-39(23-28)45(10)27-46(37)31-21-30(43(7,8)9)22-33(25-31)50(48,49)32-16-17-35-34-13-11-12-14-36(34)47(38(35)26-32)40-24-29(19-20-44-40)42(4,5)6/h11-26H,27H2,1-10H3
InChIKeySALVKRABNYOJSN-UHFFFAOYSA-N
MW684.95 g/mol
LogP10.45
Rot. Bonds4

About 2-[3-tert-butyl-5-(5-tert-butyl-3-methyl-2H-benzimidazol-1-yl)phenyl]sulfonyl-9-(4-tert-butyl-2-pyridinyl)carbazole

2-[3-tert-butyl-5-(5-tert-butyl-3-methyl-2H-benzimidazol-1-yl)phenyl]sulfonyl-9-(4-tert-butyl-2-pyridinyl)carbazole (PubChem CID 155606505) has the molecular formula C43H48N4O2S and a molecular weight of 684.95 g/mol. Its IUPAC name is 2-[3-tert-butyl-5-(5-tert-butyl-3-methyl-2H-benzimidazol-1-yl)phenyl]sulfonyl-9-(4-tert-butyl-2-pyridinyl)carbazole.

Molecular Properties

Compound Name2-[3-tert-butyl-5-(5-tert-butyl-3-methyl-2H-benzimidazol-1-yl)phenyl]sulfonyl-9-(4-tert-butyl-2-pyridinyl)carbazole
PubChem CID155606505
Molecular FormulaC43H48N4O2S
Molecular Weight684.95 g/mol
Exact Mass684.35
IUPAC Name2-[3-tert-butyl-5-(5-tert-butyl-3-methyl-2H-benzimidazol-1-yl)phenyl]sulfonyl-9-(4-tert-butyl-2-pyridinyl)carbazole
SMILESCN1CN(c2cc(C(C)(C)C)cc(S(=O)(=O)c3ccc4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)c2)c2ccc(C(C)(C)C)cc21
InChIInChI=1S/C43H48N4O2S/c1-41(2,3)28-15-18-37-39(23-28)45(10)27-46(37)31-21-30(43(7,8)9)22-33(25-31)50(48,49)32-16-17-35-34-13-11-12-14-36(34)47(38(35)26-32)40-24-29(19-20-44-40)42(4,5)6/h11-26H,27H2,1-10H3
InChIKeySALVKRABNYOJSN-UHFFFAOYSA-N
XLogP10.45
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.95
LogP ≤ 510.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[3-tert-butyl-5-(5-tert-butyl-3-methyl-2H-benzimidazol-1-yl)phenyl]sulfonyl-9-(4-tert-butyl-2-pyridinyl)carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[3-tert-butyl-5-(3,5-dimethyl-2H-benzimidazol-1-yl)phenyl]-diphenylmethyl]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155606511
9-(4-tert-butyl-2-pyridinyl)-2-[[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-diphenylmethyl]carbazole
CID 167399505
2-[3-tert-butyl-5-[5-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155652641
2-[3-(6-tert-butyl-3-methyl-2H-benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155606525
2-[[3-tert-butyl-5-(5-tert-butyl-3,6-dimethyl-2H-benzimidazol-1-yl)phenyl]-diphenylmethyl]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 171771527
9-(4-tert-butyl-2-pyridinyl)-2-[3-carbazol-9-yl-5-(3-methyl-2H-benzimidazol-1-yl)phenoxy]carbazole
CID 155622877
2-[9-[3-tert-butyl-5-(3,5-dimethyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155606627
6-tert-butyl-2-[3-tert-butyl-5-[5-tert-butyl-3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 153490581
9-(4-tert-butyl-2-pyridinyl)-2-[2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]propan-2-yl]carbazole
CID 167382027
9-(4-tert-butyl-2-pyridinyl)-N-(3,5-ditert-butylphenyl)-N-[4-(3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]carbazol-2-amine
CID 168848640
2-[3-tert-butyl-5-[3-[3-tert-butyl-5-(2-phenylpropan-2-yl)phenyl]-5-(2-phenylpropan-2-yl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 161005655
2-[3-[6-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 159303635

Frequently Asked Questions

What is the IUPAC name of 2-[3-tert-butyl-5-(5-tert-butyl-3-methyl-2H-benzimidazol-1-yl)phenyl]sulfonyl-9-(4-tert-butyl-2-pyridinyl)carbazole?
The IUPAC name of 2-[3-tert-butyl-5-(5-tert-butyl-3-methyl-2H-benzimidazol-1-yl)phenyl]sulfonyl-9-(4-tert-butyl-2-pyridinyl)carbazole (CID 155606505) is 2-[3-tert-butyl-5-(5-tert-butyl-3-methyl-2H-benzimidazol-1-yl)phenyl]sulfonyl-9-(4-tert-butyl-2-pyridinyl)carbazole.
What is the SMILES notation for 2-[3-tert-butyl-5-(5-tert-butyl-3-methyl-2H-benzimidazol-1-yl)phenyl]sulfonyl-9-(4-tert-butyl-2-pyridinyl)carbazole?
The canonical SMILES for 2-[3-tert-butyl-5-(5-tert-butyl-3-methyl-2H-benzimidazol-1-yl)phenyl]sulfonyl-9-(4-tert-butyl-2-pyridinyl)carbazole is CN1CN(c2cc(C(C)(C)C)cc(S(=O)(=O)c3ccc4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)c2)c2ccc(C(C)(C)C)cc21.
What is the InChIKey of 2-[3-tert-butyl-5-(5-tert-butyl-3-methyl-2H-benzimidazol-1-yl)phenyl]sulfonyl-9-(4-tert-butyl-2-pyridinyl)carbazole?
The InChIKey is SALVKRABNYOJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H48N4O2S/c1-41(2,3)28-15-18-37-39(23-28)45(10)27-46(37)31-21-30(43(7,8)9)22-33(25-31)50(48,49)32-16-17-35-34-13-11-12-14-36(34)47(38(35)26-32)40-24-29(19-20-44-40)42(4,5)6/h11-26H,27H2,1-10H3.
What are the key properties of 2-[3-tert-butyl-5-(5-tert-butyl-3-methyl-2H-benzimidazol-1-yl)phenyl]sulfonyl-9-(4-tert-butyl-2-pyridinyl)carbazole?
2-[3-tert-butyl-5-(5-tert-butyl-3-methyl-2H-benzimidazol-1-yl)phenyl]sulfonyl-9-(4-tert-butyl-2-pyridinyl)carbazole has a molecular weight of 684.95 g/mol, XLogP of 10.45, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-tert-butyl-5-(5-tert-butyl-3-methyl-2H-benzimidazol-1-yl)phenyl]sulfonyl-9-(4-tert-butyl-2-pyridinyl)carbazole is sourced from PubChem (CID 155606505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).