9-benzo[a]carbazol-11-yl-5-(3-dibenzofuran-3-ylquinoxalin-2-yl)benzo[b]carbazole

C52H30N4O — CID 146375308

IUPAC9-benzo[a]carbazol-11-yl-5-(3-dibenzofuran-3-ylquinoxalin-2-yl)benzo[b]carbazole
SMILESc1ccc2c(c1)ccc1c3ccccc3n(-c3ccc4cc5c(cc4c3)c3ccccc3n5-c3nc4ccccc4nc3-c3ccc4c(c3)oc3ccccc34)c21
InChIInChI=1S/C52H30N4O/c1-2-12-36-31(11-1)22-26-41-37-13-3-8-18-45(37)55(51(36)41)35-24-21-32-29-47-42(28-34(32)27-35)38-14-4-9-19-46(38)56(47)52-50(53-43-16-6-7-17-44(43)54-52)33-23-25-40-39-15-5-10-20-48(39)57-49(40)30-33/h1-30H
InChIKeyMCHKZSQVOKWTQP-UHFFFAOYSA-N
MW726.84 g/mol
LogP13.70
Rot. Bonds3

About 9-benzo[a]carbazol-11-yl-5-(3-dibenzofuran-3-ylquinoxalin-2-yl)benzo[b]carbazole

9-benzo[a]carbazol-11-yl-5-(3-dibenzofuran-3-ylquinoxalin-2-yl)benzo[b]carbazole (PubChem CID 146375308) has the molecular formula C52H30N4O and a molecular weight of 726.84 g/mol. Its IUPAC name is 9-benzo[a]carbazol-11-yl-5-(3-dibenzofuran-3-ylquinoxalin-2-yl)benzo[b]carbazole.

Molecular Properties

Compound Name9-benzo[a]carbazol-11-yl-5-(3-dibenzofuran-3-ylquinoxalin-2-yl)benzo[b]carbazole
PubChem CID146375308
Molecular FormulaC52H30N4O
Molecular Weight726.84 g/mol
Exact Mass726.24
IUPAC Name9-benzo[a]carbazol-11-yl-5-(3-dibenzofuran-3-ylquinoxalin-2-yl)benzo[b]carbazole
SMILESc1ccc2c(c1)ccc1c3ccccc3n(-c3ccc4cc5c(cc4c3)c3ccccc3n5-c3nc4ccccc4nc3-c3ccc4c(c3)oc3ccccc34)c21
InChIInChI=1S/C52H30N4O/c1-2-12-36-31(11-1)22-26-41-37-13-3-8-18-45(37)55(51(36)41)35-24-21-32-29-47-42(28-34(32)27-35)38-14-4-9-19-46(38)56(47)52-50(53-43-16-6-7-17-44(43)54-52)33-23-25-40-39-15-5-10-20-48(39)57-49(40)30-33/h1-30H
InChIKeyMCHKZSQVOKWTQP-UHFFFAOYSA-N
XLogP13.70
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.84
LogP ≤ 513.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-benzo[a]carbazol-11-yl-5-[5-(4-dibenzofuran-3-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 146375982
11-[3-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)quinoxalin-2-yl]benzo[a]carbazole
CID 167289437
9-benzo[a]carbazol-11-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole;9-benzo[a]carbazol-11-yl-7-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]benzo[c]carbazole;9-benzo[b]carbazol-5-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole;9-benzo[b]carbazol-5-yl-7-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]benzo[c]carbazole
CID 163508153
12-(3-phenylquinoxalin-2-yl)-16-oxa-12-azahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 155020585
2-(9-naphthalen-2-ylcarbazol-2-yl)-5-(3-naphthalen-2-ylquinoxalin-2-yl)benzo[b]carbazole
CID 155114289
9-carbazol-9-yl-5-[7-(2-dibenzofuran-3-ylquinazolin-4-yl)naphthalen-2-yl]benzo[b]carbazole
CID 146375561
2-dibenzofuran-4-yl-5-[3-(5-phenylbenzo[b]carbazol-8-yl)quinoxalin-2-yl]benzo[b]carbazole
CID 147851338
9-benzo[a]carbazol-11-yl-7-(4-dibenzothiophen-3-ylquinazolin-2-yl)benzo[c]carbazole;9-benzo[a]carbazol-11-yl-7-(3-dibenzothiophen-3-ylquinoxalin-2-yl)benzo[c]carbazole;9-benzo[b]carbazol-5-yl-7-(4-dibenzothiophen-3-ylquinazolin-2-yl)benzo[c]carbazole;9-benzo[b]carbazol-5-yl-7-(3-dibenzothiophen-3-ylquinoxalin-2-yl)benzo[c]carbazole
CID 163688928
11-phenyl-8-[9-(3-phenylquinoxalin-2-yl)carbazol-3-yl]benzo[a]carbazole
CID 155114491
12-(3-dibenzofuran-4-ylquinoxalin-2-yl)-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
CID 139361745
3-benzo[a]carbazol-11-yl-5-(3-dibenzothiophen-4-ylquinoxalin-2-yl)benzo[b]carbazole
CID 146375318
9-benzo[a]carbazol-11-yl-7-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[c]carbazole;9-benzo[a]carbazol-11-yl-7-(3-dibenzothiophen-2-ylquinoxalin-2-yl)benzo[c]carbazole;9-benzo[b]carbazol-5-yl-7-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[c]carbazole;9-benzo[b]carbazol-5-yl-7-(3-dibenzothiophen-2-ylquinoxalin-2-yl)benzo[c]carbazole;methane
CID 163590866

Frequently Asked Questions

What is the IUPAC name of 9-benzo[a]carbazol-11-yl-5-(3-dibenzofuran-3-ylquinoxalin-2-yl)benzo[b]carbazole?
The IUPAC name of 9-benzo[a]carbazol-11-yl-5-(3-dibenzofuran-3-ylquinoxalin-2-yl)benzo[b]carbazole (CID 146375308) is 9-benzo[a]carbazol-11-yl-5-(3-dibenzofuran-3-ylquinoxalin-2-yl)benzo[b]carbazole.
What is the SMILES notation for 9-benzo[a]carbazol-11-yl-5-(3-dibenzofuran-3-ylquinoxalin-2-yl)benzo[b]carbazole?
The canonical SMILES for 9-benzo[a]carbazol-11-yl-5-(3-dibenzofuran-3-ylquinoxalin-2-yl)benzo[b]carbazole is c1ccc2c(c1)ccc1c3ccccc3n(-c3ccc4cc5c(cc4c3)c3ccccc3n5-c3nc4ccccc4nc3-c3ccc4c(c3)oc3ccccc34)c21.
What is the InChIKey of 9-benzo[a]carbazol-11-yl-5-(3-dibenzofuran-3-ylquinoxalin-2-yl)benzo[b]carbazole?
The InChIKey is MCHKZSQVOKWTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30N4O/c1-2-12-36-31(11-1)22-26-41-37-13-3-8-18-45(37)55(51(36)41)35-24-21-32-29-47-42(28-34(32)27-35)38-14-4-9-19-46(38)56(47)52-50(53-43-16-6-7-17-44(43)54-52)33-23-25-40-39-15-5-10-20-48(39)57-49(40)30-33/h1-30H.
What are the key properties of 9-benzo[a]carbazol-11-yl-5-(3-dibenzofuran-3-ylquinoxalin-2-yl)benzo[b]carbazole?
9-benzo[a]carbazol-11-yl-5-(3-dibenzofuran-3-ylquinoxalin-2-yl)benzo[b]carbazole has a molecular weight of 726.84 g/mol, XLogP of 13.70, 3 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-(3-dibenzofuran-3-ylquinoxalin-2-yl)benzo[b]carbazole is sourced from PubChem (CID 146375308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).