1-methyl-3-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-2H-benzo[e]benzimidazole

C35H26N4O — CID 164731668

IUPAC1-methyl-3-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-2H-benzo[e]benzimidazole
SMILESCN1CN(c2cccc(Oc3ccc4c5ccccc5n(-c5ccccn5)c4c3)c2)c2ccc3ccccc3c21
InChIInChI=1S/C35H26N4O/c1-37-23-38(32-19-16-24-9-2-3-12-28(24)35(32)37)25-10-8-11-26(21-25)40-27-17-18-30-29-13-4-5-14-31(29)39(33(30)22-27)34-15-6-7-20-36-34/h2-22H,23H2,1H3
InChIKeyAQJMLHQOYSVDTR-UHFFFAOYSA-N
MW518.62 g/mol
LogP8.67
Rot. Bonds4

About 1-methyl-3-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-2H-benzo[e]benzimidazole

1-methyl-3-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-2H-benzo[e]benzimidazole (PubChem CID 164731668) has the molecular formula C35H26N4O and a molecular weight of 518.62 g/mol. Its IUPAC name is 1-methyl-3-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-2H-benzo[e]benzimidazole.

Molecular Properties

Compound Name1-methyl-3-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-2H-benzo[e]benzimidazole
PubChem CID164731668
Molecular FormulaC35H26N4O
Molecular Weight518.62 g/mol
Exact Mass518.21
IUPAC Name1-methyl-3-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-2H-benzo[e]benzimidazole
SMILESCN1CN(c2cccc(Oc3ccc4c5ccccc5n(-c5ccccn5)c4c3)c2)c2ccc3ccccc3c21
InChIInChI=1S/C35H26N4O/c1-37-23-38(32-19-16-24-9-2-3-12-28(24)35(32)37)25-10-8-11-26(21-25)40-27-17-18-30-29-13-4-5-14-31(29)39(33(30)22-27)34-15-6-7-20-36-34/h2-22H,23H2,1H3
InChIKeyAQJMLHQOYSVDTR-UHFFFAOYSA-N
XLogP8.67
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.62
LogP ≤ 58.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-pyridin-2-yl-2-[3-(3,5,6-trimethyl-2H-benzimidazol-1-yl)phenoxy]carbazole
CID 155606671
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-phenyl-2H-imidazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 160515373
2-[3-(6-tert-butyl-3-methyl-2H-benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155606525
8,8,14-trimethyl-4-(9-pyridin-2-ylcarbazol-2-yl)oxy-1,14-diaza-8-germatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16)-hexaene
CID 155616594
9-pyridin-2-yl-2-[3-[1-(2,4,6-trimethylphenyl)-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]carbazole
CID 140958316
9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-phenanthren-2-yl-2H-benzimidazol-1-yl)phenoxy]carbazole
CID 176782620
2-[3-[3-methyl-4-(4-methylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-[4-(2-phenylphenyl)-2-pyridinyl]carbazole
CID 163748784
3-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-1-methyl-2H-[1]benzofuro[3,2-e]benzimidazole
CID 155794780
2-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-9-[4-(2-phenanthren-1-yl-2-adamantyl)-2-pyridinyl]carbazole
CID 162696377
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
8,8,14-trimethyl-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 155616528

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-2H-benzo[e]benzimidazole?
The IUPAC name of 1-methyl-3-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-2H-benzo[e]benzimidazole (CID 164731668) is 1-methyl-3-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-2H-benzo[e]benzimidazole.
What is the SMILES notation for 1-methyl-3-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-2H-benzo[e]benzimidazole?
The canonical SMILES for 1-methyl-3-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-2H-benzo[e]benzimidazole is CN1CN(c2cccc(Oc3ccc4c5ccccc5n(-c5ccccn5)c4c3)c2)c2ccc3ccccc3c21.
What is the InChIKey of 1-methyl-3-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-2H-benzo[e]benzimidazole?
The InChIKey is AQJMLHQOYSVDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H26N4O/c1-37-23-38(32-19-16-24-9-2-3-12-28(24)35(32)37)25-10-8-11-26(21-25)40-27-17-18-30-29-13-4-5-14-31(29)39(33(30)22-27)34-15-6-7-20-36-34/h2-22H,23H2,1H3.
What are the key properties of 1-methyl-3-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-2H-benzo[e]benzimidazole?
1-methyl-3-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-2H-benzo[e]benzimidazole has a molecular weight of 518.62 g/mol, XLogP of 8.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-2H-benzo[e]benzimidazole is sourced from PubChem (CID 164731668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).