5-(9-cinnolin-3-ylcarbazol-2-yl)-3-pyrazin-2-ylbenzo[b]carbazole

C40H24N6 — CID 153465693

IUPAC5-(9-cinnolin-3-ylcarbazol-2-yl)-3-pyrazin-2-ylbenzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1ccc(-c2cnccn2)cc1n3-c1ccc2c3ccccc3n(-c3cc4ccccc4nn3)c2c1
InChIInChI=1S/C40H24N6/c1-2-8-26-20-38-33(19-25(26)7-1)32-15-13-28(35-24-41-17-18-42-35)21-37(32)45(38)29-14-16-31-30-10-4-6-12-36(30)46(39(31)23-29)40-22-27-9-3-5-11-34(27)43-44-40/h1-24H
InChIKeyVOSMLLVUNMRTSR-UHFFFAOYSA-N
MW588.67 g/mol
LogP9.43
Rot. Bonds3

About 5-(9-cinnolin-3-ylcarbazol-2-yl)-3-pyrazin-2-ylbenzo[b]carbazole

5-(9-cinnolin-3-ylcarbazol-2-yl)-3-pyrazin-2-ylbenzo[b]carbazole (PubChem CID 153465693) has the molecular formula C40H24N6 and a molecular weight of 588.67 g/mol. Its IUPAC name is 5-(9-cinnolin-3-ylcarbazol-2-yl)-3-pyrazin-2-ylbenzo[b]carbazole.

Molecular Properties

Compound Name5-(9-cinnolin-3-ylcarbazol-2-yl)-3-pyrazin-2-ylbenzo[b]carbazole
PubChem CID153465693
Molecular FormulaC40H24N6
Molecular Weight588.67 g/mol
Exact Mass588.21
IUPAC Name5-(9-cinnolin-3-ylcarbazol-2-yl)-3-pyrazin-2-ylbenzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1ccc(-c2cnccn2)cc1n3-c1ccc2c3ccccc3n(-c3cc4ccccc4nn3)c2c1
InChIInChI=1S/C40H24N6/c1-2-8-26-20-38-33(19-25(26)7-1)32-15-13-28(35-24-41-17-18-42-35)21-37(32)45(38)29-14-16-31-30-10-4-6-12-36(30)46(39(31)23-29)40-22-27-9-3-5-11-34(27)43-44-40/h1-24H
InChIKeyVOSMLLVUNMRTSR-UHFFFAOYSA-N
XLogP9.43
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.67
LogP ≤ 59.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(9-cinnolin-3-ylpyrido[2,3-b]indol-7-yl)-3-pyrazin-2-ylbenzo[b]carbazole
CID 153465658
5-[9-(4-phenyl-2-pyridinyl)carbazol-2-yl]-3-quinoxalin-2-ylbenzo[b]carbazole
CID 153465705
platinum(2+);9-pyridin-2-yl-2-(2-quinolin-2-ylcarbazol-9-yl)carbazole
CID 71478704
5-pyridin-3-ylbenzo[b]carbazole
CID 122464099
CID 160977316
CID 160977316
9-isoquinolin-1-yl-2-(2-quinolin-2-ylcarbazol-9-yl)carbazole;platinum(2+)
CID 71478787
3-benzo[b]carbazol-5-yl-5-[4-(3-phenanthren-9-ylquinoxalin-2-yl)naphthalen-2-yl]benzo[b]carbazole
CID 146375039
20-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-17-pyridin-2-yl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaene
CID 163456260
5-[3-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621945
9-naphthalen-2-yl-3-(10-pyridin-3-ylanthracen-9-yl)carbazole;3-(10-pyridin-3-ylanthracen-9-yl)-9-quinolin-3-ylcarbazole;9-pyridin-3-yl-3-(10-pyridin-3-ylanthracen-9-yl)carbazole
CID 159111759
2-phenyl-9-(9-pyridin-2-ylcarbazol-2-yl)carbazole
CID 71478701
6-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]phenanthridine
CID 160823432

Frequently Asked Questions

What is the IUPAC name of 5-(9-cinnolin-3-ylcarbazol-2-yl)-3-pyrazin-2-ylbenzo[b]carbazole?
The IUPAC name of 5-(9-cinnolin-3-ylcarbazol-2-yl)-3-pyrazin-2-ylbenzo[b]carbazole (CID 153465693) is 5-(9-cinnolin-3-ylcarbazol-2-yl)-3-pyrazin-2-ylbenzo[b]carbazole.
What is the SMILES notation for 5-(9-cinnolin-3-ylcarbazol-2-yl)-3-pyrazin-2-ylbenzo[b]carbazole?
The canonical SMILES for 5-(9-cinnolin-3-ylcarbazol-2-yl)-3-pyrazin-2-ylbenzo[b]carbazole is c1ccc2cc3c(cc2c1)c1ccc(-c2cnccn2)cc1n3-c1ccc2c3ccccc3n(-c3cc4ccccc4nn3)c2c1.
What is the InChIKey of 5-(9-cinnolin-3-ylcarbazol-2-yl)-3-pyrazin-2-ylbenzo[b]carbazole?
The InChIKey is VOSMLLVUNMRTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N6/c1-2-8-26-20-38-33(19-25(26)7-1)32-15-13-28(35-24-41-17-18-42-35)21-37(32)45(38)29-14-16-31-30-10-4-6-12-36(30)46(39(31)23-29)40-22-27-9-3-5-11-34(27)43-44-40/h1-24H.
What are the key properties of 5-(9-cinnolin-3-ylcarbazol-2-yl)-3-pyrazin-2-ylbenzo[b]carbazole?
5-(9-cinnolin-3-ylcarbazol-2-yl)-3-pyrazin-2-ylbenzo[b]carbazole has a molecular weight of 588.67 g/mol, XLogP of 9.43, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9-cinnolin-3-ylcarbazol-2-yl)-3-pyrazin-2-ylbenzo[b]carbazole is sourced from PubChem (CID 153465693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).