2-[3-(5,6-dimethyl-3-phenyl-2H-benzimidazol-1-yl)-5-methylphenoxy]-9-pyridin-2-ylcarbazole

C39H32N4O — CID 155606559

IUPAC2-[3-(5,6-dimethyl-3-phenyl-2H-benzimidazol-1-yl)-5-methylphenoxy]-9-pyridin-2-ylcarbazole
SMILESCc1cc(Oc2ccc3c4ccccc4n(-c4ccccn4)c3c2)cc(N2CN(c3ccccc3)c3cc(C)c(C)cc32)c1
InChIInChI=1S/C39H32N4O/c1-26-19-30(42-25-41(29-11-5-4-6-12-29)37-21-27(2)28(3)22-38(37)42)23-32(20-26)44-31-16-17-34-33-13-7-8-14-35(33)43(36(34)24-31)39-15-9-10-18-40-39/h4-24H,25H2,1-3H3
InChIKeyNGGYRUVCURRVHJ-UHFFFAOYSA-N
MW572.71 g/mol
LogP10.14
Rot. Bonds5

About 2-[3-(5,6-dimethyl-3-phenyl-2H-benzimidazol-1-yl)-5-methylphenoxy]-9-pyridin-2-ylcarbazole

2-[3-(5,6-dimethyl-3-phenyl-2H-benzimidazol-1-yl)-5-methylphenoxy]-9-pyridin-2-ylcarbazole (PubChem CID 155606559) has the molecular formula C39H32N4O and a molecular weight of 572.71 g/mol. Its IUPAC name is 2-[3-(5,6-dimethyl-3-phenyl-2H-benzimidazol-1-yl)-5-methylphenoxy]-9-pyridin-2-ylcarbazole.

Molecular Properties

Compound Name2-[3-(5,6-dimethyl-3-phenyl-2H-benzimidazol-1-yl)-5-methylphenoxy]-9-pyridin-2-ylcarbazole
PubChem CID155606559
Molecular FormulaC39H32N4O
Molecular Weight572.71 g/mol
Exact Mass572.26
IUPAC Name2-[3-(5,6-dimethyl-3-phenyl-2H-benzimidazol-1-yl)-5-methylphenoxy]-9-pyridin-2-ylcarbazole
SMILESCc1cc(Oc2ccc3c4ccccc4n(-c4ccccn4)c3c2)cc(N2CN(c3ccccc3)c3cc(C)c(C)cc32)c1
InChIInChI=1S/C39H32N4O/c1-26-19-30(42-25-41(29-11-5-4-6-12-29)37-21-27(2)28(3)22-38(37)42)23-32(20-26)44-31-16-17-34-33-13-7-8-14-35(33)43(36(34)24-31)39-15-9-10-18-40-39/h4-24H,25H2,1-3H3
InChIKeyNGGYRUVCURRVHJ-UHFFFAOYSA-N
XLogP10.14
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.71
LogP ≤ 510.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[5,6-dimethyl-3-(trideuteriomethyl)-2H-benzimidazol-1-yl]-5-methylphenoxy]-9-pyridin-2-ylcarbazole
CID 155606545
9-pyridin-2-yl-2-[3-(3,5,6-trimethyl-2H-benzimidazol-1-yl)phenoxy]carbazole
CID 155606671
2-[3-isocyano-5-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]-6-methyl-9-pyridin-2-ylcarbazole
CID 155636164
2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-5,6-dimethyl-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155651087
9-pyridin-2-yl-2-[3-[1-(2,4,6-trimethylphenyl)-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]carbazole
CID 140958316
2-[3-tert-butyl-5-(5,6-dimethyl-3-phenyl-2H-benzimidazol-1-yl)phenoxy]-4-phenyl-9-pyridin-2-ylcarbazole
CID 155606709
2-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 160515373
6-[3-(9-pyridin-2-ylcarbazol-2-yl)oxy-5-(2,4,6-trimethylphenyl)phenyl]-5H-imidazo[1,2-c]quinazoline
CID 162771944
8,8-dimethyl-14-phenyl-4-(9-pyridin-2-ylcarbazol-2-yl)oxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12-hexaene
CID 155616602
2-[3-[3-(2,4-difluorophenyl)-2H-benzimidazol-1-yl]-5-(2,6-dimethyl-4-phenylphenyl)phenoxy]-9-pyridin-2-ylcarbazole
CID 172534222
22-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-20,22-diazahexacyclo[18.6.1.02,7.08,13.014,19.023,27]heptacosa-1(27),2,4,6,8,10,12,14,16,18,23,25-dodecaene
CID 176821515
2-[3-[3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole
CID 140729932

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5,6-dimethyl-3-phenyl-2H-benzimidazol-1-yl)-5-methylphenoxy]-9-pyridin-2-ylcarbazole?
The IUPAC name of 2-[3-(5,6-dimethyl-3-phenyl-2H-benzimidazol-1-yl)-5-methylphenoxy]-9-pyridin-2-ylcarbazole (CID 155606559) is 2-[3-(5,6-dimethyl-3-phenyl-2H-benzimidazol-1-yl)-5-methylphenoxy]-9-pyridin-2-ylcarbazole.
What is the SMILES notation for 2-[3-(5,6-dimethyl-3-phenyl-2H-benzimidazol-1-yl)-5-methylphenoxy]-9-pyridin-2-ylcarbazole?
The canonical SMILES for 2-[3-(5,6-dimethyl-3-phenyl-2H-benzimidazol-1-yl)-5-methylphenoxy]-9-pyridin-2-ylcarbazole is Cc1cc(Oc2ccc3c4ccccc4n(-c4ccccn4)c3c2)cc(N2CN(c3ccccc3)c3cc(C)c(C)cc32)c1.
What is the InChIKey of 2-[3-(5,6-dimethyl-3-phenyl-2H-benzimidazol-1-yl)-5-methylphenoxy]-9-pyridin-2-ylcarbazole?
The InChIKey is NGGYRUVCURRVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H32N4O/c1-26-19-30(42-25-41(29-11-5-4-6-12-29)37-21-27(2)28(3)22-38(37)42)23-32(20-26)44-31-16-17-34-33-13-7-8-14-35(33)43(36(34)24-31)39-15-9-10-18-40-39/h4-24H,25H2,1-3H3.
What are the key properties of 2-[3-(5,6-dimethyl-3-phenyl-2H-benzimidazol-1-yl)-5-methylphenoxy]-9-pyridin-2-ylcarbazole?
2-[3-(5,6-dimethyl-3-phenyl-2H-benzimidazol-1-yl)-5-methylphenoxy]-9-pyridin-2-ylcarbazole has a molecular weight of 572.71 g/mol, XLogP of 10.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5,6-dimethyl-3-phenyl-2H-benzimidazol-1-yl)-5-methylphenoxy]-9-pyridin-2-ylcarbazole is sourced from PubChem (CID 155606559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).