11-benzo[b]carbazol-5-yl-5-(3-dibenzofuran-1-ylquinoxalin-2-yl)benzo[b]carbazole

C52H30N4O — CID 146375025

IUPAC11-benzo[b]carbazol-5-yl-5-(3-dibenzofuran-1-ylquinoxalin-2-yl)benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1c2ccccc2cc2c1c1ccccc1n2-c1nc2ccccc2nc1-c1cccc2oc3ccccc3c12
InChIInChI=1S/C52H30N4O/c1-2-15-32-29-44-39(28-31(32)14-1)35-18-5-10-24-42(35)55(44)51-34-17-4-3-16-33(34)30-45-49(51)36-19-6-11-25-43(36)56(45)52-50(53-40-22-8-9-23-41(40)54-52)38-21-13-27-47-48(38)37-20-7-12-26-46(37)57-47/h1-30H
InChIKeyOZCGRBVBDRGUTR-UHFFFAOYSA-N
MW726.84 g/mol
LogP13.70
Rot. Bonds3

About 11-benzo[b]carbazol-5-yl-5-(3-dibenzofuran-1-ylquinoxalin-2-yl)benzo[b]carbazole

11-benzo[b]carbazol-5-yl-5-(3-dibenzofuran-1-ylquinoxalin-2-yl)benzo[b]carbazole (PubChem CID 146375025) has the molecular formula C52H30N4O and a molecular weight of 726.84 g/mol. Its IUPAC name is 11-benzo[b]carbazol-5-yl-5-(3-dibenzofuran-1-ylquinoxalin-2-yl)benzo[b]carbazole.

Molecular Properties

Compound Name11-benzo[b]carbazol-5-yl-5-(3-dibenzofuran-1-ylquinoxalin-2-yl)benzo[b]carbazole
PubChem CID146375025
Molecular FormulaC52H30N4O
Molecular Weight726.84 g/mol
Exact Mass726.24
IUPAC Name11-benzo[b]carbazol-5-yl-5-(3-dibenzofuran-1-ylquinoxalin-2-yl)benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1c2ccccc2cc2c1c1ccccc1n2-c1nc2ccccc2nc1-c1cccc2oc3ccccc3c12
InChIInChI=1S/C52H30N4O/c1-2-15-32-29-44-39(28-31(32)14-1)35-18-5-10-24-42(35)55(44)51-34-17-4-3-16-33(34)30-45-49(51)36-19-6-11-25-43(36)56(45)52-50(53-40-22-8-9-23-41(40)54-52)38-21-13-27-47-48(38)37-20-7-12-26-46(37)57-47/h1-30H
InChIKeyOZCGRBVBDRGUTR-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

5-(3-dibenzofuran-1-ylquinoxalin-2-yl)benzo[b]carbazole
CID 139361976
11-benzo[b]carbazol-5-yl-5-[3-(9-phenylcarbazol-4-yl)quinoxalin-2-yl]benzo[b]carbazole
CID 146374584
9-(3-dibenzofuran-1-ylquinoxalin-2-yl)carbazole
CID 166849499
2-benzo[b]carbazol-5-yl-3-dibenzofuran-1-yl-[1]benzothiolo[2,3-b]pyrazine
CID 146391818
7-[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-7-yl)quinoxalin-2-yl]benzo[c]carbazole
CID 167289441
13-(3-dibenzofuran-1-ylbenzo[h]quinoxalin-2-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaene
CID 162472796
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
10-benzo[b]carbazol-5-yl-5-(3-dibenzothiophen-4-ylquinoxalin-2-yl)benzo[b]carbazole
CID 146375388
7-benzo[b]carbazol-5-yl-5-[5-(3-dibenzofuran-2-ylquinoxalin-2-yl)naphthalen-2-yl]benzo[b]carbazole
CID 146375343
2-dibenzofuran-4-yl-5-[3-(5-phenylbenzo[b]carbazol-8-yl)quinoxalin-2-yl]benzo[b]carbazole
CID 147851338
16-[3-(2-phenylphenyl)quinoxalin-2-yl]-12-oxa-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 155020559
11-benzo[b]carbazol-5-yl-5-[4-(3-dibenzothiophen-1-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole;11-benzo[b]carbazol-5-yl-5-[3-[3-(9-phenylcarbazol-4-yl)quinoxalin-2-yl]phenyl]benzo[b]carbazole
CID 161309106

Frequently Asked Questions

What is the IUPAC name of 11-benzo[b]carbazol-5-yl-5-(3-dibenzofuran-1-ylquinoxalin-2-yl)benzo[b]carbazole?
The IUPAC name of 11-benzo[b]carbazol-5-yl-5-(3-dibenzofuran-1-ylquinoxalin-2-yl)benzo[b]carbazole (CID 146375025) is 11-benzo[b]carbazol-5-yl-5-(3-dibenzofuran-1-ylquinoxalin-2-yl)benzo[b]carbazole.
What is the SMILES notation for 11-benzo[b]carbazol-5-yl-5-(3-dibenzofuran-1-ylquinoxalin-2-yl)benzo[b]carbazole?
The canonical SMILES for 11-benzo[b]carbazol-5-yl-5-(3-dibenzofuran-1-ylquinoxalin-2-yl)benzo[b]carbazole is c1ccc2cc3c(cc2c1)c1ccccc1n3-c1c2ccccc2cc2c1c1ccccc1n2-c1nc2ccccc2nc1-c1cccc2oc3ccccc3c12.
What is the InChIKey of 11-benzo[b]carbazol-5-yl-5-(3-dibenzofuran-1-ylquinoxalin-2-yl)benzo[b]carbazole?
The InChIKey is OZCGRBVBDRGUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30N4O/c1-2-15-32-29-44-39(28-31(32)14-1)35-18-5-10-24-42(35)55(44)51-34-17-4-3-16-33(34)30-45-49(51)36-19-6-11-25-43(36)56(45)52-50(53-40-22-8-9-23-41(40)54-52)38-21-13-27-47-48(38)37-20-7-12-26-46(37)57-47/h1-30H.
What are the key properties of 11-benzo[b]carbazol-5-yl-5-(3-dibenzofuran-1-ylquinoxalin-2-yl)benzo[b]carbazole?
11-benzo[b]carbazol-5-yl-5-(3-dibenzofuran-1-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 11-benzo[b]carbazol-5-yl-5-(3-dibenzofuran-1-ylquinoxalin-2-yl)benzo[b]carbazole is sourced from PubChem (CID 146375025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).