11-[10-(9-naphthalen-1-ylcarbazol-3-yl)benzo[c]carbazol-7-yl]-[1]benzofuro[3,2-b]quinoline

C53H31N3O — CID 138661905

IUPAC11-[10-(9-naphthalen-1-ylcarbazol-3-yl)benzo[c]carbazol-7-yl]-[1]benzofuro[3,2-b]quinoline
SMILESc1ccc2c(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5c7ccccc7ccc5n6-c5c6ccccc6nc6c5oc5ccccc56)ccc43)cccc2c1
InChIInChI=1S/C53H31N3O/c1-3-15-36-32(12-1)14-11-22-44(36)55-45-21-9-6-17-38(45)41-30-34(25-27-46(41)55)35-26-28-47-42(31-35)50-37-16-4-2-13-33(37)24-29-48(50)56(47)52-39-18-5-8-20-43(39)54-51-40-19-7-10-23-49(40)57-53(51)52/h1-31H
InChIKeyQYQZVPIJSNCEQY-UHFFFAOYSA-N
MW725.85 g/mol
LogP14.30
Rot. Bonds3

About 11-[10-(9-naphthalen-1-ylcarbazol-3-yl)benzo[c]carbazol-7-yl]-[1]benzofuro[3,2-b]quinoline

11-[10-(9-naphthalen-1-ylcarbazol-3-yl)benzo[c]carbazol-7-yl]-[1]benzofuro[3,2-b]quinoline (PubChem CID 138661905) has the molecular formula C53H31N3O and a molecular weight of 725.85 g/mol. Its IUPAC name is 11-[10-(9-naphthalen-1-ylcarbazol-3-yl)benzo[c]carbazol-7-yl]-[1]benzofuro[3,2-b]quinoline.

Molecular Properties

Compound Name11-[10-(9-naphthalen-1-ylcarbazol-3-yl)benzo[c]carbazol-7-yl]-[1]benzofuro[3,2-b]quinoline
PubChem CID138661905
Molecular FormulaC53H31N3O
Molecular Weight725.85 g/mol
Exact Mass725.25
IUPAC Name11-[10-(9-naphthalen-1-ylcarbazol-3-yl)benzo[c]carbazol-7-yl]-[1]benzofuro[3,2-b]quinoline
SMILESc1ccc2c(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5c7ccccc7ccc5n6-c5c6ccccc6nc6c5oc5ccccc56)ccc43)cccc2c1
InChIInChI=1S/C53H31N3O/c1-3-15-36-32(12-1)14-11-22-44(36)55-45-21-9-6-17-38(45)41-30-34(25-27-46(41)55)35-26-28-47-42(31-35)50-37-16-4-2-13-33(37)24-29-48(50)56(47)52-39-18-5-8-20-43(39)54-51-40-19-7-10-23-49(40)57-53(51)52/h1-31H
InChIKeyQYQZVPIJSNCEQY-UHFFFAOYSA-N
XLogP14.30
TPSA35.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.85
LogP ≤ 514.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

11-[3-(11-phenylbenzo[a]carbazol-8-yl)carbazol-9-yl]-[1]benzofuro[3,2-b]quinoline
CID 138662821
11-[3-(5-phenylbenzo[b]carbazol-2-yl)carbazol-9-yl]-[1]benzofuro[3,2-b]quinoline
CID 138661428
5-naphthalen-1-yl-2-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole
CID 121343366
12-naphthalen-1-yl-3-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole
CID 157381564
7-methyl-10-(9-naphthalen-1-ylcarbazol-3-yl)benzo[c]carbazole
CID 138662750
7-[4-(9-naphthalen-1-ylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole
CID 71109103
7-naphthalen-1-yl-2-phenylbenzo[c]carbazole
CID 130351033
7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-10-phenylbenzo[c]carbazole
CID 164847819
9-naphthalen-1-yl-3-(3-phenanthren-3-ylphenyl)carbazole
CID 87171339
2-[3-(8-carbazol-9-ylnaphthalen-2-yl)phenyl]-1,3-benzoxazole
CID 46187140
3-[9-(3-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole
CID 155305806
10-[3-(4-bromophenyl)phenyl]-7-naphthalen-1-ylbenzo[c]carbazole
CID 122595386

Frequently Asked Questions

What is the IUPAC name of 11-[10-(9-naphthalen-1-ylcarbazol-3-yl)benzo[c]carbazol-7-yl]-[1]benzofuro[3,2-b]quinoline?
The IUPAC name of 11-[10-(9-naphthalen-1-ylcarbazol-3-yl)benzo[c]carbazol-7-yl]-[1]benzofuro[3,2-b]quinoline (CID 138661905) is 11-[10-(9-naphthalen-1-ylcarbazol-3-yl)benzo[c]carbazol-7-yl]-[1]benzofuro[3,2-b]quinoline.
What is the SMILES notation for 11-[10-(9-naphthalen-1-ylcarbazol-3-yl)benzo[c]carbazol-7-yl]-[1]benzofuro[3,2-b]quinoline?
The canonical SMILES for 11-[10-(9-naphthalen-1-ylcarbazol-3-yl)benzo[c]carbazol-7-yl]-[1]benzofuro[3,2-b]quinoline is c1ccc2c(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5c7ccccc7ccc5n6-c5c6ccccc6nc6c5oc5ccccc56)ccc43)cccc2c1.
What is the InChIKey of 11-[10-(9-naphthalen-1-ylcarbazol-3-yl)benzo[c]carbazol-7-yl]-[1]benzofuro[3,2-b]quinoline?
The InChIKey is QYQZVPIJSNCEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H31N3O/c1-3-15-36-32(12-1)14-11-22-44(36)55-45-21-9-6-17-38(45)41-30-34(25-27-46(41)55)35-26-28-47-42(31-35)50-37-16-4-2-13-33(37)24-29-48(50)56(47)52-39-18-5-8-20-43(39)54-51-40-19-7-10-23-49(40)57-53(51)52/h1-31H.
What are the key properties of 11-[10-(9-naphthalen-1-ylcarbazol-3-yl)benzo[c]carbazol-7-yl]-[1]benzofuro[3,2-b]quinoline?
11-[10-(9-naphthalen-1-ylcarbazol-3-yl)benzo[c]carbazol-7-yl]-[1]benzofuro[3,2-b]quinoline has a molecular weight of 725.85 g/mol, XLogP of 14.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[10-(9-naphthalen-1-ylcarbazol-3-yl)benzo[c]carbazol-7-yl]-[1]benzofuro[3,2-b]quinoline is sourced from PubChem (CID 138661905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).