9-benzo[a]carbazol-11-yl-5-[5-(4-dibenzofuran-3-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole

C62H36N4O — CID 146375982

IUPAC9-benzo[a]carbazol-11-yl-5-[5-(4-dibenzofuran-3-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole
SMILESc1ccc2c(c1)ccc1c3ccccc3n(-c3ccc4cc5c(cc4c3)c3ccccc3n5-c3cccc4c(-c5nc(-c6ccc7c(c6)oc6ccccc67)c6ccccc6n5)cccc34)c21
InChIInChI=1S/C62H36N4O/c1-2-14-42-37(13-1)28-32-49-45-15-4-8-23-54(45)65(61(42)49)41-30-27-38-35-57-52(34-40(38)33-41)46-16-5-9-24-55(46)66(57)56-25-12-19-43-44(56)20-11-21-50(43)62-63-53-22-7-3-18-51(53)60(64-62)39-29-31-48-47-17-6-10-26-58(47)67-59(48)36-39/h1-36H
InChIKeyFFQHWHZPDULJLK-UHFFFAOYSA-N
MW853.00 g/mol
LogP16.52
Rot. Bonds4

About 9-benzo[a]carbazol-11-yl-5-[5-(4-dibenzofuran-3-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole

9-benzo[a]carbazol-11-yl-5-[5-(4-dibenzofuran-3-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole (PubChem CID 146375982) has the molecular formula C62H36N4O and a molecular weight of 853.00 g/mol. Its IUPAC name is 9-benzo[a]carbazol-11-yl-5-[5-(4-dibenzofuran-3-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole.

Molecular Properties

Compound Name9-benzo[a]carbazol-11-yl-5-[5-(4-dibenzofuran-3-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole
PubChem CID146375982
Molecular FormulaC62H36N4O
Molecular Weight853.00 g/mol
Exact Mass852.29
IUPAC Name9-benzo[a]carbazol-11-yl-5-[5-(4-dibenzofuran-3-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole
SMILESc1ccc2c(c1)ccc1c3ccccc3n(-c3ccc4cc5c(cc4c3)c3ccccc3n5-c3cccc4c(-c5nc(-c6ccc7c(c6)oc6ccccc67)c6ccccc6n5)cccc34)c21
InChIInChI=1S/C62H36N4O/c1-2-14-42-37(13-1)28-32-49-45-15-4-8-23-54(45)65(61(42)49)41-30-27-38-35-57-52(34-40(38)33-41)46-16-5-9-24-55(46)66(57)56-25-12-19-43-44(56)20-11-21-50(43)62-63-53-22-7-3-18-51(53)60(64-62)39-29-31-48-47-17-6-10-26-58(47)67-59(48)36-39/h1-36H
InChIKeyFFQHWHZPDULJLK-UHFFFAOYSA-N
XLogP16.52
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500853.00
LogP ≤ 516.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-carbazol-9-yl-5-[7-(2-dibenzofuran-3-ylquinazolin-4-yl)naphthalen-2-yl]benzo[b]carbazole
CID 146375561
9-benzo[a]carbazol-11-yl-5-(3-dibenzofuran-3-ylquinoxalin-2-yl)benzo[b]carbazole
CID 146375308
7-[5-(4-phenylquinazolin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-b]carbazole
CID 154947939
1-benzo[a]carbazol-11-yl-5-[3-(2-naphthalen-1-ylquinazolin-4-yl)phenyl]benzo[b]carbazole
CID 146375727
9-carbazol-9-yl-5-[7-(2-dibenzofuran-3-ylquinazolin-4-yl)naphthalen-2-yl]benzo[b]carbazole;9-carbazol-9-yl-5-[7-(2-dibenzothiophen-3-ylquinazolin-4-yl)naphthalen-2-yl]benzo[b]carbazole;9-carbazol-9-yl-5-[4-[2-(9-phenylcarbazol-2-yl)quinazolin-4-yl]naphthalen-1-yl]benzo[b]carbazole
CID 158649736
10-benzo[a]carbazol-11-yl-5-[3-(4-dibenzofuran-4-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole;10-benzo[a]carbazol-11-yl-5-[3-(4-phenanthren-9-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole;10-benzo[a]carbazol-11-yl-5-[3-(4-phenanthren-2-ylquinazolin-2-yl)phenyl]benzo[b]carbazole
CID 158342873
8-benzo[a]carbazol-11-yl-5-[3-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]phenyl]benzo[b]carbazole
CID 146375702
2-benzo[a]carbazol-11-yl-5-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[b]carbazole
CID 146375421
7-benzo[b]carbazol-5-yl-5-[5-(3-dibenzofuran-2-ylquinoxalin-2-yl)naphthalen-2-yl]benzo[b]carbazole
CID 146375343
5-[5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]benzo[b]carbazole;9-[5-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]carbazole;bis(9-[5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]carbazole);11-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]benzo[a]carbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]benzo[b]carbazole
CID 165000310
12-phenyl-16-[4-(4-phenylquinazolin-2-yl)naphthalen-1-yl]-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;12-phenyl-16-[6-(4-phenylquinazolin-2-yl)naphthalen-2-yl]-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;12-phenyl-16-[4-(4-phenylquinazolin-2-yl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
CID 160897005
5-[5-[4-naphthalen-2-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 146621297

Frequently Asked Questions

What is the IUPAC name of 9-benzo[a]carbazol-11-yl-5-[5-(4-dibenzofuran-3-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole?
The IUPAC name of 9-benzo[a]carbazol-11-yl-5-[5-(4-dibenzofuran-3-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole (CID 146375982) is 9-benzo[a]carbazol-11-yl-5-[5-(4-dibenzofuran-3-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole.
What is the SMILES notation for 9-benzo[a]carbazol-11-yl-5-[5-(4-dibenzofuran-3-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole?
The canonical SMILES for 9-benzo[a]carbazol-11-yl-5-[5-(4-dibenzofuran-3-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole is c1ccc2c(c1)ccc1c3ccccc3n(-c3ccc4cc5c(cc4c3)c3ccccc3n5-c3cccc4c(-c5nc(-c6ccc7c(c6)oc6ccccc67)c6ccccc6n5)cccc34)c21.
What is the InChIKey of 9-benzo[a]carbazol-11-yl-5-[5-(4-dibenzofuran-3-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole?
The InChIKey is FFQHWHZPDULJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H36N4O/c1-2-14-42-37(13-1)28-32-49-45-15-4-8-23-54(45)65(61(42)49)41-30-27-38-35-57-52(34-40(38)33-41)46-16-5-9-24-55(46)66(57)56-25-12-19-43-44(56)20-11-21-50(43)62-63-53-22-7-3-18-51(53)60(64-62)39-29-31-48-47-17-6-10-26-58(47)67-59(48)36-39/h1-36H.
What are the key properties of 9-benzo[a]carbazol-11-yl-5-[5-(4-dibenzofuran-3-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole?
9-benzo[a]carbazol-11-yl-5-[5-(4-dibenzofuran-3-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole has a molecular weight of 853.00 g/mol, XLogP of 16.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzo[a]carbazol-11-yl-5-[5-(4-dibenzofuran-3-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole is sourced from PubChem (CID 146375982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).