4-carbazol-9-yl-2-[1-methyl-4-[3-phenyl-5-[5-(trimethyl-λ4-sulfanyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-6-phenylphenol

C52H42N4OS — CID 164701110

IUPAC4-carbazol-9-yl-2-[1-methyl-4-[3-phenyl-5-[5-(trimethyl-λ4-sulfanyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-6-phenylphenol
SMILESCn1c(-c2cc(-n3c4ccccc4c4ccccc43)cc(-c3ccccc3)c2O)nc2c(-c3cc(-c4ccccc4)cc(-c4ccc(S(C)(C)C)cn4)c3)cccc21
InChIInChI=1S/C52H42N4OS/c1-55-49-25-15-22-41(37-28-36(34-16-7-5-8-17-34)29-38(30-37)46-27-26-40(33-53-46)58(2,3)4)50(49)54-52(55)45-32-39(31-44(51(45)57)35-18-9-6-10-19-35)56-47-23-13-11-20-42(47)43-21-12-14-24-48(43)56/h5-33,57H,1-4H3
InChIKeyUXJPIXMALVMXRW-UHFFFAOYSA-N
MW771.00 g/mol
LogP13.16
Rot. Bonds7

About 4-carbazol-9-yl-2-[1-methyl-4-[3-phenyl-5-[5-(trimethyl-λ4-sulfanyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-6-phenylphenol

4-carbazol-9-yl-2-[1-methyl-4-[3-phenyl-5-[5-(trimethyl-λ4-sulfanyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-6-phenylphenol (PubChem CID 164701110) has the molecular formula C52H42N4OS and a molecular weight of 771.00 g/mol. Its IUPAC name is 4-carbazol-9-yl-2-[1-methyl-4-[3-phenyl-5-[5-(trimethyl-λ4-sulfanyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-6-phenylphenol.

Molecular Properties

Compound Name4-carbazol-9-yl-2-[1-methyl-4-[3-phenyl-5-[5-(trimethyl-λ4-sulfanyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-6-phenylphenol
PubChem CID164701110
Molecular FormulaC52H42N4OS
Molecular Weight771.00 g/mol
Exact Mass770.31
IUPAC Name4-carbazol-9-yl-2-[1-methyl-4-[3-phenyl-5-[5-(trimethyl-λ4-sulfanyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-6-phenylphenol
SMILESCn1c(-c2cc(-n3c4ccccc4c4ccccc43)cc(-c3ccccc3)c2O)nc2c(-c3cc(-c4ccccc4)cc(-c4ccc(S(C)(C)C)cn4)c3)cccc21
InChIInChI=1S/C52H42N4OS/c1-55-49-25-15-22-41(37-28-36(34-16-7-5-8-17-34)29-38(30-37)46-27-26-40(33-53-46)58(2,3)4)50(49)54-52(55)45-32-39(31-44(51(45)57)35-18-9-6-10-19-35)56-47-23-13-11-20-42(47)43-21-12-14-24-48(43)56/h5-33,57H,1-4H3
InChIKeyUXJPIXMALVMXRW-UHFFFAOYSA-N
XLogP13.16
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500771.00
LogP ≤ 513.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-ditert-butyl-6-[1-methyl-4-[3-phenyl-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol
CID 140832113
5-tert-butyl-3-[1-methyl-4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]benzimidazol-2-yl]pyridin-2-ol
CID 140864201
4,6-ditert-butyl-2-[1-methyl-4-[3-(5-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]pyridin-3-ol
CID 140865247
3-[1-methyl-4-[3-(5-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]-1H-pyridin-2-one
CID 140864801
3-[1-methyl-4-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)phenyl]benzimidazol-2-yl]-1H-pyridin-2-one
CID 140864719
2-[1-phenyl-4-[3-phenyl-5-[5-(1-phenylethyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol
CID 164742379
3-[1-methyl-4-[3-(5-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]-1H-pyridin-4-one
CID 140865419
3-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]-1-phenylbenzimidazol-2-yl]pyridin-2-ol
CID 140865175
6-methyl-4-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]-1-phenylbenzimidazol-2-yl]pyridin-3-ol
CID 140864229
2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(5-phenylpyrido[4,3-b]indol-3-yl)phenyl]benzimidazol-2-yl]phenol
CID 162784151
2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-(5-phenylpyrido[4,3-b]indol-3-yl)phenyl]benzimidazol-2-yl]phenol
CID 162783113
2,4-ditert-butyl-6-[1-phenyl-4-[3-(2-phenylpropan-2-yl)-5-(5-phenylpyrido[4,3-b]indol-3-yl)phenyl]benzimidazol-2-yl]phenol
CID 162784155

Frequently Asked Questions

What is the IUPAC name of 4-carbazol-9-yl-2-[1-methyl-4-[3-phenyl-5-[5-(trimethyl-λ4-sulfanyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-6-phenylphenol?
The IUPAC name of 4-carbazol-9-yl-2-[1-methyl-4-[3-phenyl-5-[5-(trimethyl-λ4-sulfanyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-6-phenylphenol (CID 164701110) is 4-carbazol-9-yl-2-[1-methyl-4-[3-phenyl-5-[5-(trimethyl-λ4-sulfanyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-6-phenylphenol.
What is the SMILES notation for 4-carbazol-9-yl-2-[1-methyl-4-[3-phenyl-5-[5-(trimethyl-λ4-sulfanyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-6-phenylphenol?
The canonical SMILES for 4-carbazol-9-yl-2-[1-methyl-4-[3-phenyl-5-[5-(trimethyl-λ4-sulfanyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-6-phenylphenol is Cn1c(-c2cc(-n3c4ccccc4c4ccccc43)cc(-c3ccccc3)c2O)nc2c(-c3cc(-c4ccccc4)cc(-c4ccc(S(C)(C)C)cn4)c3)cccc21.
What is the InChIKey of 4-carbazol-9-yl-2-[1-methyl-4-[3-phenyl-5-[5-(trimethyl-λ4-sulfanyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-6-phenylphenol?
The InChIKey is UXJPIXMALVMXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H42N4OS/c1-55-49-25-15-22-41(37-28-36(34-16-7-5-8-17-34)29-38(30-37)46-27-26-40(33-53-46)58(2,3)4)50(49)54-52(55)45-32-39(31-44(51(45)57)35-18-9-6-10-19-35)56-47-23-13-11-20-42(47)43-21-12-14-24-48(43)56/h5-33,57H,1-4H3.
What are the key properties of 4-carbazol-9-yl-2-[1-methyl-4-[3-phenyl-5-[5-(trimethyl-λ4-sulfanyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-6-phenylphenol?
4-carbazol-9-yl-2-[1-methyl-4-[3-phenyl-5-[5-(trimethyl-λ4-sulfanyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-6-phenylphenol has a molecular weight of 771.00 g/mol, XLogP of 13.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbazol-9-yl-2-[1-methyl-4-[3-phenyl-5-[5-(trimethyl-λ4-sulfanyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-6-phenylphenol is sourced from PubChem (CID 164701110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).