11-benzo[b]carbazol-5-yl-5-[3-(9-phenylcarbazol-4-yl)quinoxalin-2-yl]benzo[b]carbazole

C58H35N5 — CID 146374584

IUPAC11-benzo[b]carbazol-5-yl-5-[3-(9-phenylcarbazol-4-yl)quinoxalin-2-yl]benzo[b]carbazole
SMILESc1ccc(-n2c3ccccc3c3c(-c4nc5ccccc5nc4-n4c5ccccc5c5c(-n6c7ccccc7c7cc8ccccc8cc76)c6ccccc6cc54)cccc32)cc1
InChIInChI=1S/C58H35N5/c1-2-20-39(21-3-1)61-49-30-14-9-24-42(49)54-44(26-16-32-51(54)61)56-58(60-47-28-12-11-27-46(47)59-56)63-50-31-15-10-25-43(50)55-53(63)35-38-19-6-7-22-40(38)57(55)62-48-29-13-8-23-41(48)45-33-36-17-4-5-18-37(36)34-52(45)62/h1-35H
InChIKeyKCTXVBKWCHDDGD-UHFFFAOYSA-N
MW801.95 g/mol
LogP14.89
Rot. Bonds4

About 11-benzo[b]carbazol-5-yl-5-[3-(9-phenylcarbazol-4-yl)quinoxalin-2-yl]benzo[b]carbazole

11-benzo[b]carbazol-5-yl-5-[3-(9-phenylcarbazol-4-yl)quinoxalin-2-yl]benzo[b]carbazole (PubChem CID 146374584) has the molecular formula C58H35N5 and a molecular weight of 801.95 g/mol. Its IUPAC name is 11-benzo[b]carbazol-5-yl-5-[3-(9-phenylcarbazol-4-yl)quinoxalin-2-yl]benzo[b]carbazole.

Molecular Properties

Compound Name11-benzo[b]carbazol-5-yl-5-[3-(9-phenylcarbazol-4-yl)quinoxalin-2-yl]benzo[b]carbazole
PubChem CID146374584
Molecular FormulaC58H35N5
Molecular Weight801.95 g/mol
Exact Mass801.29
IUPAC Name11-benzo[b]carbazol-5-yl-5-[3-(9-phenylcarbazol-4-yl)quinoxalin-2-yl]benzo[b]carbazole
SMILESc1ccc(-n2c3ccccc3c3c(-c4nc5ccccc5nc4-n4c5ccccc5c5c(-n6c7ccccc7c7cc8ccccc8cc76)c6ccccc6cc54)cccc32)cc1
InChIInChI=1S/C58H35N5/c1-2-20-39(21-3-1)61-49-30-14-9-24-42(49)54-44(26-16-32-51(54)61)56-58(60-47-28-12-11-27-46(47)59-56)63-50-31-15-10-25-43(50)55-53(63)35-38-19-6-7-22-40(38)57(55)62-48-29-13-8-23-41(48)45-33-36-17-4-5-18-37(36)34-52(45)62/h1-35H
InChIKeyKCTXVBKWCHDDGD-UHFFFAOYSA-N
XLogP14.89
TPSA40.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.95
LogP ≤ 514.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

11-benzo[b]carbazol-5-yl-5-(3-dibenzofuran-1-ylquinoxalin-2-yl)benzo[b]carbazole
CID 146375025
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
7-carbazol-9-yl-5-[5-[3-(9-phenylcarbazol-4-yl)quinoxalin-2-yl]naphthalen-2-yl]benzo[b]carbazole
CID 146374777
2-benzo[b]carbazol-5-yl-3-(9-phenylcarbazol-4-yl)-[1]benzothiolo[2,3-b]pyrazine
CID 146391659
5-(3-dibenzofuran-1-ylquinoxalin-2-yl)benzo[b]carbazole
CID 139361976
11-benzo[a]carbazol-11-yl-5-(3-dibenzothiophen-1-ylquinoxalin-2-yl)benzo[b]carbazole;11-benzo[a]carbazol-11-yl-5-[3-(9,9-dimethylfluoren-4-yl)quinoxalin-2-yl]benzo[b]carbazole;11-benzo[a]carbazol-11-yl-5-[3-(9-phenylcarbazol-4-yl)quinoxalin-2-yl]benzo[b]carbazole
CID 158116510
2-(9-phenylcarbazol-3-yl)-5-[3-(3-phenylphenyl)quinoxalin-2-yl]benzo[b]carbazole
CID 155114403
11-benzo[b]carbazol-5-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 155477122
11-benzo[b]carbazol-5-yl-5-[4-[4-naphthalen-1-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155476957
10-benzo[b]carbazol-5-yl-7-[3-(3-naphthalen-2-ylphenyl)quinoxalin-2-yl]benzo[c]carbazole;10-benzo[c]carbazol-7-yl-7-[3-(3-naphthalen-1-ylphenyl)quinoxalin-2-yl]benzo[c]carbazole;10-benzo[c]carbazol-7-yl-7-[4-(9-phenylcarbazol-4-yl)quinazolin-2-yl]benzo[c]carbazole
CID 163628288
11-benzo[b]carbazol-5-yl-5-[4-(3-dibenzothiophen-2-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole
CID 146374596
10-phenyl-30-(3-phenylquinoxalin-2-yl)-10,30-diazaoctacyclo[19.7.1.113,16.02,14.03,11.04,9.015,20.025,29]triaconta-1(28),2,4,6,8,11,13,15(20),16,18,21,23,25(29),26-tetradecaene
CID 155429520

Frequently Asked Questions

What is the IUPAC name of 11-benzo[b]carbazol-5-yl-5-[3-(9-phenylcarbazol-4-yl)quinoxalin-2-yl]benzo[b]carbazole?
The IUPAC name of 11-benzo[b]carbazol-5-yl-5-[3-(9-phenylcarbazol-4-yl)quinoxalin-2-yl]benzo[b]carbazole (CID 146374584) is 11-benzo[b]carbazol-5-yl-5-[3-(9-phenylcarbazol-4-yl)quinoxalin-2-yl]benzo[b]carbazole.
What is the SMILES notation for 11-benzo[b]carbazol-5-yl-5-[3-(9-phenylcarbazol-4-yl)quinoxalin-2-yl]benzo[b]carbazole?
The canonical SMILES for 11-benzo[b]carbazol-5-yl-5-[3-(9-phenylcarbazol-4-yl)quinoxalin-2-yl]benzo[b]carbazole is c1ccc(-n2c3ccccc3c3c(-c4nc5ccccc5nc4-n4c5ccccc5c5c(-n6c7ccccc7c7cc8ccccc8cc76)c6ccccc6cc54)cccc32)cc1.
What is the InChIKey of 11-benzo[b]carbazol-5-yl-5-[3-(9-phenylcarbazol-4-yl)quinoxalin-2-yl]benzo[b]carbazole?
The InChIKey is KCTXVBKWCHDDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H35N5/c1-2-20-39(21-3-1)61-49-30-14-9-24-42(49)54-44(26-16-32-51(54)61)56-58(60-47-28-12-11-27-46(47)59-56)63-50-31-15-10-25-43(50)55-53(63)35-38-19-6-7-22-40(38)57(55)62-48-29-13-8-23-41(48)45-33-36-17-4-5-18-37(36)34-52(45)62/h1-35H.
What are the key properties of 11-benzo[b]carbazol-5-yl-5-[3-(9-phenylcarbazol-4-yl)quinoxalin-2-yl]benzo[b]carbazole?
11-benzo[b]carbazol-5-yl-5-[3-(9-phenylcarbazol-4-yl)quinoxalin-2-yl]benzo[b]carbazole has a molecular weight of 801.95 g/mol, XLogP of 14.89, 4 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-(9-phenylcarbazol-4-yl)quinoxalin-2-yl]benzo[b]carbazole is sourced from PubChem (CID 146374584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).