5,8-bis(5-pyridin-3-yl-2-pyridinyl)-11-quinolin-2-ylbenzo[a]carbazole

C45H28N6 — CID 90249961

IUPAC5,8-bis(5-pyridin-3-yl-2-pyridinyl)-11-quinolin-2-ylbenzo[a]carbazole
SMILESc1cncc(-c2ccc(-c3ccc4c(c3)c3cc(-c5ccc(-c6cccnc6)cn5)c5ccccc5c3n4-c3ccc4ccccc4n3)nc2)c1
InChIInChI=1S/C45H28N6/c1-4-12-41-29(7-1)16-20-44(50-41)51-43-19-15-30(40-17-13-33(27-48-40)31-8-5-21-46-25-31)23-38(43)39-24-37(35-10-2-3-11-36(35)45(39)51)42-18-14-34(28-49-42)32-9-6-22-47-26-32/h1-28H
InChIKeyXOPCLBROXVTFOE-UHFFFAOYSA-N
MW652.76 g/mol
LogP10.73
Rot. Bonds5

About 5,8-bis(5-pyridin-3-yl-2-pyridinyl)-11-quinolin-2-ylbenzo[a]carbazole

5,8-bis(5-pyridin-3-yl-2-pyridinyl)-11-quinolin-2-ylbenzo[a]carbazole (PubChem CID 90249961) has the molecular formula C45H28N6 and a molecular weight of 652.76 g/mol. Its IUPAC name is 5,8-bis(5-pyridin-3-yl-2-pyridinyl)-11-quinolin-2-ylbenzo[a]carbazole.

Molecular Properties

Compound Name5,8-bis(5-pyridin-3-yl-2-pyridinyl)-11-quinolin-2-ylbenzo[a]carbazole
PubChem CID90249961
Molecular FormulaC45H28N6
Molecular Weight652.76 g/mol
Exact Mass652.24
IUPAC Name5,8-bis(5-pyridin-3-yl-2-pyridinyl)-11-quinolin-2-ylbenzo[a]carbazole
SMILESc1cncc(-c2ccc(-c3ccc4c(c3)c3cc(-c5ccc(-c6cccnc6)cn5)c5ccccc5c3n4-c3ccc4ccccc4n3)nc2)c1
InChIInChI=1S/C45H28N6/c1-4-12-41-29(7-1)16-20-44(50-41)51-43-19-15-30(40-17-13-33(27-48-40)31-8-5-21-46-25-31)23-38(43)39-24-37(35-10-2-3-11-36(35)45(39)51)42-18-14-34(28-49-42)32-9-6-22-47-26-32/h1-28H
InChIKeyXOPCLBROXVTFOE-UHFFFAOYSA-N
XLogP10.73
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.76
LogP ≤ 510.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

10-(5-pyridin-3-yl-2-pyridinyl)-7-quinolin-2-ylbenzo[c]carbazole
CID 90249868
11-(1,10-phenanthrolin-5-yl)-5,8-bis(5-pyridin-3-yl-2-pyridinyl)benzo[a]carbazole
CID 90249971
5,8-di(isoquinolin-1-yl)-11-(5-pyridin-3-yl-2-pyridinyl)benzo[a]carbazole
CID 90249972
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
2-[9,10-di(phenanthren-9-yl)anthracen-2-yl]-5-pyridin-3-ylpyridine
CID 90361500
19-isoquinolin-3-yl-9-quinolin-2-yl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 135162765
7,10-di(quinolin-2-yl)benzo[c]carbazole
CID 90249861
7-(5-pyridin-3-yl-2-pyridinyl)benzo[c]carbazole
CID 90250027
10-quinolin-2-yl-7-(5-quinolin-2-yl-2-pyridinyl)benzo[c]carbazole
CID 90249912
5-[3-[10-(7-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]-2-pyridin-3-ylpyridine
CID 88554768
9-[2-carbazol-9-yl-6-[4-[6-[3-[4-[4-[2,3-di(carbazol-9-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-3-pyridinyl]-6-pyridin-3-yl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 167192804
9-phenyl-3-[5-[6-(9-phenylcarbazol-3-yl)-3-pyridinyl]-2-pyridinyl]carbazole
CID 56943928

Frequently Asked Questions

What is the IUPAC name of 5,8-bis(5-pyridin-3-yl-2-pyridinyl)-11-quinolin-2-ylbenzo[a]carbazole?
The IUPAC name of 5,8-bis(5-pyridin-3-yl-2-pyridinyl)-11-quinolin-2-ylbenzo[a]carbazole (CID 90249961) is 5,8-bis(5-pyridin-3-yl-2-pyridinyl)-11-quinolin-2-ylbenzo[a]carbazole.
What is the SMILES notation for 5,8-bis(5-pyridin-3-yl-2-pyridinyl)-11-quinolin-2-ylbenzo[a]carbazole?
The canonical SMILES for 5,8-bis(5-pyridin-3-yl-2-pyridinyl)-11-quinolin-2-ylbenzo[a]carbazole is c1cncc(-c2ccc(-c3ccc4c(c3)c3cc(-c5ccc(-c6cccnc6)cn5)c5ccccc5c3n4-c3ccc4ccccc4n3)nc2)c1.
What is the InChIKey of 5,8-bis(5-pyridin-3-yl-2-pyridinyl)-11-quinolin-2-ylbenzo[a]carbazole?
The InChIKey is XOPCLBROXVTFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N6/c1-4-12-41-29(7-1)16-20-44(50-41)51-43-19-15-30(40-17-13-33(27-48-40)31-8-5-21-46-25-31)23-38(43)39-24-37(35-10-2-3-11-36(35)45(39)51)42-18-14-34(28-49-42)32-9-6-22-47-26-32/h1-28H.
What are the key properties of 5,8-bis(5-pyridin-3-yl-2-pyridinyl)-11-quinolin-2-ylbenzo[a]carbazole?
5,8-bis(5-pyridin-3-yl-2-pyridinyl)-11-quinolin-2-ylbenzo[a]carbazole has a molecular weight of 652.76 g/mol, XLogP of 10.73, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-bis(5-pyridin-3-yl-2-pyridinyl)-11-quinolin-2-ylbenzo[a]carbazole is sourced from PubChem (CID 90249961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).