11-phenyl-9-pyridin-2-yl-3-(6-pyridin-4-ylnaphthalen-2-yl)benzo[a]carbazole

C42H27N3 — CID 163515098

IUPAC11-phenyl-9-pyridin-2-yl-3-(6-pyridin-4-ylnaphthalen-2-yl)benzo[a]carbazole
SMILESc1ccc(-n2c3cc(-c4ccccn4)ccc3c3ccc4cc(-c5ccc6cc(-c7ccncc7)ccc6c5)ccc4c32)cc1
InChIInChI=1S/C42H27N3/c1-2-6-36(7-3-1)45-41-27-35(40-8-4-5-21-44-40)15-17-38(41)39-18-14-34-26-33(13-16-37(34)42(39)45)32-12-11-30-24-29(9-10-31(30)25-32)28-19-22-43-23-20-28/h1-27H
InChIKeyDFZYTCAZYOCARF-UHFFFAOYSA-N
MW573.70 g/mol
LogP10.88
Rot. Bonds4

About 11-phenyl-9-pyridin-2-yl-3-(6-pyridin-4-ylnaphthalen-2-yl)benzo[a]carbazole

11-phenyl-9-pyridin-2-yl-3-(6-pyridin-4-ylnaphthalen-2-yl)benzo[a]carbazole (PubChem CID 163515098) has the molecular formula C42H27N3 and a molecular weight of 573.70 g/mol. Its IUPAC name is 11-phenyl-9-pyridin-2-yl-3-(6-pyridin-4-ylnaphthalen-2-yl)benzo[a]carbazole.

Molecular Properties

Compound Name11-phenyl-9-pyridin-2-yl-3-(6-pyridin-4-ylnaphthalen-2-yl)benzo[a]carbazole
PubChem CID163515098
Molecular FormulaC42H27N3
Molecular Weight573.70 g/mol
Exact Mass573.22
IUPAC Name11-phenyl-9-pyridin-2-yl-3-(6-pyridin-4-ylnaphthalen-2-yl)benzo[a]carbazole
SMILESc1ccc(-n2c3cc(-c4ccccn4)ccc3c3ccc4cc(-c5ccc6cc(-c7ccncc7)ccc6c5)ccc4c32)cc1
InChIInChI=1S/C42H27N3/c1-2-6-36(7-3-1)45-41-27-35(40-8-4-5-21-44-40)15-17-38(41)39-18-14-34-26-33(13-16-37(34)42(39)45)32-12-11-30-24-29(9-10-31(30)25-32)28-19-22-43-23-20-28/h1-27H
InChIKeyDFZYTCAZYOCARF-UHFFFAOYSA-N
XLogP10.88
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.70
LogP ≤ 510.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

11-phenyl-9-(4-pyridin-4-ylphenyl)-3-(5-pyridin-2-yl-3-pyridinyl)benzo[a]carbazole
CID 148690574
3-[5-(2-methyl-3-pyridinyl)-2-pyridinyl]-9-naphthalen-2-yl-11-phenylbenzo[a]carbazole
CID 147334824
11-phenyl-3-(3-pyridin-2-yl-1,2-dihydropyridin-5-yl)-9-(4-pyridin-3-ylphenyl)benzo[a]carbazole
CID 163989198
3,9-bis(2-naphthalen-2-yl-4-pyridinyl)-5,11-diphenylindolo[3,2-b]carbazole
CID 147270263
9,18-diphenyl-13-(6-pyridin-2-ylnaphthalen-1-yl)-9,18-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),2(10),3,5,7,11(16),12,14,19(28),20,22,24,26-tridecaene
CID 134184019
3,9-bis[3-(3-methyl-2-pyridinyl)phenyl]-11-phenylbenzo[a]carbazole
CID 147320703
2-[4-(4-phenylphenyl)-2-pyridinyl]-9-(3-pyridin-2-ylphenyl)carbazole
CID 140825608
2-[8-pyridin-4-yl-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole
CID 142328881
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-3,8-dipyridin-2-ylindolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-3-(3-phenylphenyl)indolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-3-(4-phenylphenyl)indolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,8,11-triphenylindolo[2,3-a]carbazole
CID 160982500
9-phenyl-2-pyridin-2-yl-6-[3-[2-(3-pyridin-2-ylphenyl)phenyl]phenyl]carbazole
CID 140814524
6-pyridin-4-yl-2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole
CID 142329421
8-(7-phenylpyren-2-yl)-17-(6-pyridin-2-ylnaphthalen-2-yl)-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
CID 122524605

Frequently Asked Questions

What is the IUPAC name of 11-phenyl-9-pyridin-2-yl-3-(6-pyridin-4-ylnaphthalen-2-yl)benzo[a]carbazole?
The IUPAC name of 11-phenyl-9-pyridin-2-yl-3-(6-pyridin-4-ylnaphthalen-2-yl)benzo[a]carbazole (CID 163515098) is 11-phenyl-9-pyridin-2-yl-3-(6-pyridin-4-ylnaphthalen-2-yl)benzo[a]carbazole.
What is the SMILES notation for 11-phenyl-9-pyridin-2-yl-3-(6-pyridin-4-ylnaphthalen-2-yl)benzo[a]carbazole?
The canonical SMILES for 11-phenyl-9-pyridin-2-yl-3-(6-pyridin-4-ylnaphthalen-2-yl)benzo[a]carbazole is c1ccc(-n2c3cc(-c4ccccn4)ccc3c3ccc4cc(-c5ccc6cc(-c7ccncc7)ccc6c5)ccc4c32)cc1.
What is the InChIKey of 11-phenyl-9-pyridin-2-yl-3-(6-pyridin-4-ylnaphthalen-2-yl)benzo[a]carbazole?
The InChIKey is DFZYTCAZYOCARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N3/c1-2-6-36(7-3-1)45-41-27-35(40-8-4-5-21-44-40)15-17-38(41)39-18-14-34-26-33(13-16-37(34)42(39)45)32-12-11-30-24-29(9-10-31(30)25-32)28-19-22-43-23-20-28/h1-27H.
What are the key properties of 11-phenyl-9-pyridin-2-yl-3-(6-pyridin-4-ylnaphthalen-2-yl)benzo[a]carbazole?
11-phenyl-9-pyridin-2-yl-3-(6-pyridin-4-ylnaphthalen-2-yl)benzo[a]carbazole has a molecular weight of 573.70 g/mol, XLogP of 10.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-phenyl-9-pyridin-2-yl-3-(6-pyridin-4-ylnaphthalen-2-yl)benzo[a]carbazole is sourced from PubChem (CID 163515098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).