5-(9-cinnolin-3-ylpyrido[2,3-b]indol-7-yl)-3-pyrazin-2-ylbenzo[b]carbazole

C39H23N7 — CID 153465658

IUPAC5-(9-cinnolin-3-ylpyrido[2,3-b]indol-7-yl)-3-pyrazin-2-ylbenzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1ccc(-c2cnccn2)cc1n3-c1ccc2c3cccnc3n(-c3cc4ccccc4nn3)c2c1
InChIInChI=1S/C39H23N7/c1-2-7-25-19-36-32(18-24(25)6-1)30-13-11-27(34-23-40-16-17-41-34)20-35(30)45(36)28-12-14-29-31-9-5-15-42-39(31)46(37(29)22-28)38-21-26-8-3-4-10-33(26)43-44-38/h1-23H
InChIKeyUFIDUMZVANHVOC-UHFFFAOYSA-N
MW589.66 g/mol
LogP8.83
Rot. Bonds3

About 5-(9-cinnolin-3-ylpyrido[2,3-b]indol-7-yl)-3-pyrazin-2-ylbenzo[b]carbazole

5-(9-cinnolin-3-ylpyrido[2,3-b]indol-7-yl)-3-pyrazin-2-ylbenzo[b]carbazole (PubChem CID 153465658) has the molecular formula C39H23N7 and a molecular weight of 589.66 g/mol. Its IUPAC name is 5-(9-cinnolin-3-ylpyrido[2,3-b]indol-7-yl)-3-pyrazin-2-ylbenzo[b]carbazole.

Molecular Properties

Compound Name5-(9-cinnolin-3-ylpyrido[2,3-b]indol-7-yl)-3-pyrazin-2-ylbenzo[b]carbazole
PubChem CID153465658
Molecular FormulaC39H23N7
Molecular Weight589.66 g/mol
Exact Mass589.20
IUPAC Name5-(9-cinnolin-3-ylpyrido[2,3-b]indol-7-yl)-3-pyrazin-2-ylbenzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1ccc(-c2cnccn2)cc1n3-c1ccc2c3cccnc3n(-c3cc4ccccc4nn3)c2c1
InChIInChI=1S/C39H23N7/c1-2-7-25-19-36-32(18-24(25)6-1)30-13-11-27(34-23-40-16-17-41-34)20-35(30)45(36)28-12-14-29-31-9-5-15-42-39(31)46(37(29)22-28)38-21-26-8-3-4-10-33(26)43-44-38/h1-23H
InChIKeyUFIDUMZVANHVOC-UHFFFAOYSA-N
XLogP8.83
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.66
LogP ≤ 58.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-(9-cinnolin-3-ylcarbazol-2-yl)-3-pyrazin-2-ylbenzo[b]carbazole
CID 153465693
5-[9-(4-phenyl-2-pyridinyl)carbazol-2-yl]-3-quinoxalin-2-ylbenzo[b]carbazole
CID 153465705
9-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-9-phenylcarbazol-2-yl]pyrido[2,3-b]indole
CID 156577704
9-[9-phenyl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-2-yl]pyrido[2,3-b]indole
CID 156577699
platinum(2+);9-pyridin-2-yl-2-(2-quinolin-2-ylcarbazol-9-yl)carbazole
CID 71478704
5-[2-(9-isoquinolin-6-ylcarbazol-2-yl)carbazol-9-yl]benzo[h]quinoline
CID 134387042
9-(4-phenylphenyl)-7-[9-(4-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole
CID 118587534
6-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-2-yl]-9-phenylpyrido[2,3-b]indole
CID 118587515
7-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylpyrido[2,3-b]indole
CID 129221910
9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-(9-phenylcarbazol-2-yl)pyrido[2,3-b]indole
CID 129221621
CID 160977316
CID 160977316
9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-(9-phenylcarbazol-2-yl)pyrido[2,3-b]indole
CID 129221681

Frequently Asked Questions

What is the IUPAC name of 5-(9-cinnolin-3-ylpyrido[2,3-b]indol-7-yl)-3-pyrazin-2-ylbenzo[b]carbazole?
The IUPAC name of 5-(9-cinnolin-3-ylpyrido[2,3-b]indol-7-yl)-3-pyrazin-2-ylbenzo[b]carbazole (CID 153465658) is 5-(9-cinnolin-3-ylpyrido[2,3-b]indol-7-yl)-3-pyrazin-2-ylbenzo[b]carbazole.
What is the SMILES notation for 5-(9-cinnolin-3-ylpyrido[2,3-b]indol-7-yl)-3-pyrazin-2-ylbenzo[b]carbazole?
The canonical SMILES for 5-(9-cinnolin-3-ylpyrido[2,3-b]indol-7-yl)-3-pyrazin-2-ylbenzo[b]carbazole is c1ccc2cc3c(cc2c1)c1ccc(-c2cnccn2)cc1n3-c1ccc2c3cccnc3n(-c3cc4ccccc4nn3)c2c1.
What is the InChIKey of 5-(9-cinnolin-3-ylpyrido[2,3-b]indol-7-yl)-3-pyrazin-2-ylbenzo[b]carbazole?
The InChIKey is UFIDUMZVANHVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H23N7/c1-2-7-25-19-36-32(18-24(25)6-1)30-13-11-27(34-23-40-16-17-41-34)20-35(30)45(36)28-12-14-29-31-9-5-15-42-39(31)46(37(29)22-28)38-21-26-8-3-4-10-33(26)43-44-38/h1-23H.
What are the key properties of 5-(9-cinnolin-3-ylpyrido[2,3-b]indol-7-yl)-3-pyrazin-2-ylbenzo[b]carbazole?
5-(9-cinnolin-3-ylpyrido[2,3-b]indol-7-yl)-3-pyrazin-2-ylbenzo[b]carbazole has a molecular weight of 589.66 g/mol, XLogP of 8.83, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9-cinnolin-3-ylpyrido[2,3-b]indol-7-yl)-3-pyrazin-2-ylbenzo[b]carbazole is sourced from PubChem (CID 153465658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).