10-(5-isoquinolin-1-yl-2-pyridinyl)-7-pyridin-2-ylbenzo[c]carbazole

C35H22N4 — CID 90249844

IUPAC10-(5-isoquinolin-1-yl-2-pyridinyl)-7-pyridin-2-ylbenzo[c]carbazole
SMILESc1ccc(-n2c3ccc(-c4ccc(-c5nccc6ccccc56)cn4)cc3c3c4ccccc4ccc32)nc1
InChIInChI=1S/C35H22N4/c1-3-9-27-23(7-1)13-17-32-34(27)29-21-25(14-16-31(29)39(32)33-11-5-6-19-36-33)30-15-12-26(22-38-30)35-28-10-4-2-8-24(28)18-20-37-35/h1-22H
InChIKeyONTIICDUMTYYPD-UHFFFAOYSA-N
MW498.59 g/mol
LogP8.61
Rot. Bonds3

About 10-(5-isoquinolin-1-yl-2-pyridinyl)-7-pyridin-2-ylbenzo[c]carbazole

10-(5-isoquinolin-1-yl-2-pyridinyl)-7-pyridin-2-ylbenzo[c]carbazole (PubChem CID 90249844) has the molecular formula C35H22N4 and a molecular weight of 498.59 g/mol. Its IUPAC name is 10-(5-isoquinolin-1-yl-2-pyridinyl)-7-pyridin-2-ylbenzo[c]carbazole.

Molecular Properties

Compound Name10-(5-isoquinolin-1-yl-2-pyridinyl)-7-pyridin-2-ylbenzo[c]carbazole
PubChem CID90249844
Molecular FormulaC35H22N4
Molecular Weight498.59 g/mol
Exact Mass498.18
IUPAC Name10-(5-isoquinolin-1-yl-2-pyridinyl)-7-pyridin-2-ylbenzo[c]carbazole
SMILESc1ccc(-n2c3ccc(-c4ccc(-c5nccc6ccccc56)cn4)cc3c3c4ccccc4ccc32)nc1
InChIInChI=1S/C35H22N4/c1-3-9-27-23(7-1)13-17-32-34(27)29-21-25(14-16-31(29)39(32)33-11-5-6-19-36-33)30-15-12-26(22-38-30)35-28-10-4-2-8-24(28)18-20-37-35/h1-22H
InChIKeyONTIICDUMTYYPD-UHFFFAOYSA-N
XLogP8.61
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.59
LogP ≤ 58.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

10-isoquinolin-1-yl-7-pyridin-2-ylbenzo[c]carbazole
CID 90249840
7,10-dipyridin-2-ylbenzo[c]carbazole
CID 90249849
10-isoquinolin-1-yl-7-(1,10-phenanthrolin-5-yl)benzo[c]carbazole;7-(1,10-phenanthrolin-5-yl)-10-pyridin-2-ylbenzo[c]carbazole;7-(1,10-phenanthrolin-5-yl)-10-pyridin-3-ylbenzo[c]carbazole;10-[5-(1,10-phenanthrolin-5-yl)-2-pyridinyl]-7-quinolin-2-ylbenzo[c]carbazole
CID 159858649
10-quinolin-2-yl-7-(5-quinolin-2-yl-2-pyridinyl)benzo[c]carbazole
CID 90249912
10-(5-pyridin-3-yl-2-pyridinyl)-7-quinolin-2-ylbenzo[c]carbazole
CID 90249868
9-pyridin-2-yl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
CID 89017135
7-naphthalen-1-yl-5-[6-(9-pyridin-2-ylcarbazol-2-yl)-3-pyridinyl]-12-thia-4,6-diazapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene
CID 154600965
7,10-di(quinolin-2-yl)benzo[c]carbazole
CID 90249861
10-[6-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidin-4-yl]-7-pyridin-2-ylbenzo[c]carbazole
CID 140797012
3-(9-naphthalen-1-ylcarbazol-3-yl)-9-pyridin-2-ylcarbazole
CID 166905670
10-isoquinolin-3-yl-7-pyridin-3-ylbenzo[c]carbazole
CID 90250026
9-[3-(2-methylphenyl)phenyl]-7-pyridin-2-ylbenzo[c]carbazole
CID 90175626

Frequently Asked Questions

What is the IUPAC name of 10-(5-isoquinolin-1-yl-2-pyridinyl)-7-pyridin-2-ylbenzo[c]carbazole?
The IUPAC name of 10-(5-isoquinolin-1-yl-2-pyridinyl)-7-pyridin-2-ylbenzo[c]carbazole (CID 90249844) is 10-(5-isoquinolin-1-yl-2-pyridinyl)-7-pyridin-2-ylbenzo[c]carbazole.
What is the SMILES notation for 10-(5-isoquinolin-1-yl-2-pyridinyl)-7-pyridin-2-ylbenzo[c]carbazole?
The canonical SMILES for 10-(5-isoquinolin-1-yl-2-pyridinyl)-7-pyridin-2-ylbenzo[c]carbazole is c1ccc(-n2c3ccc(-c4ccc(-c5nccc6ccccc56)cn4)cc3c3c4ccccc4ccc32)nc1.
What is the InChIKey of 10-(5-isoquinolin-1-yl-2-pyridinyl)-7-pyridin-2-ylbenzo[c]carbazole?
The InChIKey is ONTIICDUMTYYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22N4/c1-3-9-27-23(7-1)13-17-32-34(27)29-21-25(14-16-31(29)39(32)33-11-5-6-19-36-33)30-15-12-26(22-38-30)35-28-10-4-2-8-24(28)18-20-37-35/h1-22H.
What are the key properties of 10-(5-isoquinolin-1-yl-2-pyridinyl)-7-pyridin-2-ylbenzo[c]carbazole?
10-(5-isoquinolin-1-yl-2-pyridinyl)-7-pyridin-2-ylbenzo[c]carbazole has a molecular weight of 498.59 g/mol, XLogP of 8.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(5-isoquinolin-1-yl-2-pyridinyl)-7-pyridin-2-ylbenzo[c]carbazole is sourced from PubChem (CID 90249844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).