11-benzo[b]carbazol-5-yl-5-[4-(3-dibenzothiophen-2-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole

C58H34N4S — CID 146374596

IUPAC11-benzo[b]carbazol-5-yl-5-[4-(3-dibenzothiophen-2-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1c2ccccc2cc2c1c1ccccc1n2-c1ccc(-c2nc3ccccc3nc2-c2ccc3sc4ccccc4c3c2)cc1
InChIInChI=1S/C58H34N4S/c1-2-14-37-33-51-45(31-36(37)13-1)42-17-5-10-22-49(42)62(51)58-41-16-4-3-15-38(41)34-52-55(58)44-19-6-11-23-50(44)61(52)40-28-25-35(26-29-40)56-57(60-48-21-9-8-20-47(48)59-56)39-27-30-54-46(32-39)43-18-7-12-24-53(43)63-54/h1-34H
InChIKeyUOXQHEZVFHZZIV-UHFFFAOYSA-N
MW819.00 g/mol
LogP15.83
Rot. Bonds4

About 11-benzo[b]carbazol-5-yl-5-[4-(3-dibenzothiophen-2-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole

11-benzo[b]carbazol-5-yl-5-[4-(3-dibenzothiophen-2-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole (PubChem CID 146374596) has the molecular formula C58H34N4S and a molecular weight of 819.00 g/mol. Its IUPAC name is 11-benzo[b]carbazol-5-yl-5-[4-(3-dibenzothiophen-2-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole.

Molecular Properties

Compound Name11-benzo[b]carbazol-5-yl-5-[4-(3-dibenzothiophen-2-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole
PubChem CID146374596
Molecular FormulaC58H34N4S
Molecular Weight819.00 g/mol
Exact Mass818.25
IUPAC Name11-benzo[b]carbazol-5-yl-5-[4-(3-dibenzothiophen-2-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1c2ccccc2cc2c1c1ccccc1n2-c1ccc(-c2nc3ccccc3nc2-c2ccc3sc4ccccc4c3c2)cc1
InChIInChI=1S/C58H34N4S/c1-2-14-37-33-51-45(31-36(37)13-1)42-17-5-10-22-49(42)62(51)58-41-16-4-3-15-38(41)34-52-55(58)44-19-6-11-23-50(44)61(52)40-28-25-35(26-29-40)56-57(60-48-21-9-8-20-47(48)59-56)39-27-30-54-46(32-39)43-18-7-12-24-53(43)63-54/h1-34H
InChIKeyUOXQHEZVFHZZIV-UHFFFAOYSA-N
XLogP15.83
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500819.00
LogP ≤ 515.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
11-benzo[a]carbazol-11-yl-5-[4-(3-dibenzothiophen-1-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole
CID 146374812
2-(9-dibenzothiophen-2-ylcarbazol-3-yl)-5-phenylbenzo[b]carbazole
CID 167243996
11-benzo[b]carbazol-5-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 155477122
2-benzo[b]carbazol-5-yl-5-[4-(3-naphthalen-2-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole
CID 146375026
15-(4-indolo[1,2-a]quinoxalin-6-ylphenyl)-25-phenyl-5-thia-15,25-diazaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,26-dodecaene
CID 145180265
12-[4-(3-dibenzothiophen-2-ylquinoxalin-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-(3-dibenzothiophen-4-ylquinoxalin-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 158618141
11-benzo[b]carbazol-5-yl-5-[3-(9-phenylcarbazol-4-yl)quinoxalin-2-yl]benzo[b]carbazole
CID 146374584
7-(2,3-diphenylquinoxalin-6-yl)-[1]benzothiolo[2,3-b]carbazole
CID 154952453
9-[4-(3-phenylquinoxalin-2-yl)phenyl]-9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),3,5,7,11,13,15,17,20,22,24,26,28-tetradecaene
CID 130259806
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
2-dibenzothiophen-2-yl-3-(4-naphthalen-2-ylphenyl)quinoxaline
CID 164956800

Frequently Asked Questions

What is the IUPAC name of 11-benzo[b]carbazol-5-yl-5-[4-(3-dibenzothiophen-2-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole?
The IUPAC name of 11-benzo[b]carbazol-5-yl-5-[4-(3-dibenzothiophen-2-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole (CID 146374596) is 11-benzo[b]carbazol-5-yl-5-[4-(3-dibenzothiophen-2-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole.
What is the SMILES notation for 11-benzo[b]carbazol-5-yl-5-[4-(3-dibenzothiophen-2-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole?
The canonical SMILES for 11-benzo[b]carbazol-5-yl-5-[4-(3-dibenzothiophen-2-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole is c1ccc2cc3c(cc2c1)c1ccccc1n3-c1c2ccccc2cc2c1c1ccccc1n2-c1ccc(-c2nc3ccccc3nc2-c2ccc3sc4ccccc4c3c2)cc1.
What is the InChIKey of 11-benzo[b]carbazol-5-yl-5-[4-(3-dibenzothiophen-2-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole?
The InChIKey is UOXQHEZVFHZZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H34N4S/c1-2-14-37-33-51-45(31-36(37)13-1)42-17-5-10-22-49(42)62(51)58-41-16-4-3-15-38(41)34-52-55(58)44-19-6-11-23-50(44)61(52)40-28-25-35(26-29-40)56-57(60-48-21-9-8-20-47(48)59-56)39-27-30-54-46(32-39)43-18-7-12-24-53(43)63-54/h1-34H.
What are the key properties of 11-benzo[b]carbazol-5-yl-5-[4-(3-dibenzothiophen-2-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole?
11-benzo[b]carbazol-5-yl-5-[4-(3-dibenzothiophen-2-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole has a molecular weight of 819.00 g/mol, XLogP of 15.83, 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-[4-(3-dibenzothiophen-2-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole is sourced from PubChem (CID 146374596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).