6-(4-dibenzothiophen-4-ylphenyl)indolo[1,2-a]quinoxaline

C33H20N2S — CID 145180261

IUPAC6-(4-dibenzothiophen-4-ylphenyl)indolo[1,2-a]quinoxaline
SMILESc1ccc2c(c1)cc1c(-c3ccc(-c4cccc5c4sc4ccccc45)cc3)nc3ccccc3n12
InChIInChI=1S/C33H20N2S/c1-4-13-28-23(8-1)20-30-32(34-27-12-3-5-14-29(27)35(28)30)22-18-16-21(17-19-22)24-10-7-11-26-25-9-2-6-15-31(25)36-33(24)26/h1-20H
InChIKeyPIUGZNDDTPNNGJ-UHFFFAOYSA-N
MW476.60 g/mol
LogP9.34
Rot. Bonds2

About 6-(4-dibenzothiophen-4-ylphenyl)indolo[1,2-a]quinoxaline

6-(4-dibenzothiophen-4-ylphenyl)indolo[1,2-a]quinoxaline (PubChem CID 145180261) has the molecular formula C33H20N2S and a molecular weight of 476.60 g/mol. Its IUPAC name is 6-(4-dibenzothiophen-4-ylphenyl)indolo[1,2-a]quinoxaline.

Molecular Properties

Compound Name6-(4-dibenzothiophen-4-ylphenyl)indolo[1,2-a]quinoxaline
PubChem CID145180261
Molecular FormulaC33H20N2S
Molecular Weight476.60 g/mol
Exact Mass476.13
IUPAC Name6-(4-dibenzothiophen-4-ylphenyl)indolo[1,2-a]quinoxaline
SMILESc1ccc2c(c1)cc1c(-c3ccc(-c4cccc5c4sc4ccccc45)cc3)nc3ccccc3n12
InChIInChI=1S/C33H20N2S/c1-4-13-28-23(8-1)20-30-32(34-27-12-3-5-14-29(27)35(28)30)22-18-16-21(17-19-22)24-10-7-11-26-25-9-2-6-15-31(25)36-33(24)26/h1-20H
InChIKeyPIUGZNDDTPNNGJ-UHFFFAOYSA-N
XLogP9.34
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.60
LogP ≤ 59.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-dibenzothiophen-4-yl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene
CID 163561204
6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]indolo[1,2-a]quinoxaline
CID 145180592
12-(4-dibenzothiophen-4-ylphenyl)-[1]benzothiolo[2,3-i]phenanthridine
CID 129123000
14-(4-dibenzothiophen-4-ylphenyl)-10-thia-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 129122879
6-(4-dibenzothiophen-4-ylphenyl)-2,3-diphenylquinoxaline
CID 165098690
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
5-(4-dibenzothiophen-4-ylphenyl)-3-naphthalen-2-yl-2-phenylquinoxaline
CID 171724764
5-(4-dibenzothiophen-4-ylphenyl)-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene
CID 129128243
6-(1-benzothiophen-2-yl)indolo[1,2-a]quinoxaline
CID 162406863
4,6-bis(4-dibenzothiophen-4-ylphenyl)dibenzothiophene
CID 118439385
5,20-di(dibenzothiophen-4-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene
CID 154591247
15-(4-dibenzothiophen-4-ylphenyl)-28-thia-3,14-diazaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2,4,6,8,10,12,15,18,20,22,24,26-tridecaene
CID 156514900

Frequently Asked Questions

What is the IUPAC name of 6-(4-dibenzothiophen-4-ylphenyl)indolo[1,2-a]quinoxaline?
The IUPAC name of 6-(4-dibenzothiophen-4-ylphenyl)indolo[1,2-a]quinoxaline (CID 145180261) is 6-(4-dibenzothiophen-4-ylphenyl)indolo[1,2-a]quinoxaline.
What is the SMILES notation for 6-(4-dibenzothiophen-4-ylphenyl)indolo[1,2-a]quinoxaline?
The canonical SMILES for 6-(4-dibenzothiophen-4-ylphenyl)indolo[1,2-a]quinoxaline is c1ccc2c(c1)cc1c(-c3ccc(-c4cccc5c4sc4ccccc45)cc3)nc3ccccc3n12.
What is the InChIKey of 6-(4-dibenzothiophen-4-ylphenyl)indolo[1,2-a]quinoxaline?
The InChIKey is PIUGZNDDTPNNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H20N2S/c1-4-13-28-23(8-1)20-30-32(34-27-12-3-5-14-29(27)35(28)30)22-18-16-21(17-19-22)24-10-7-11-26-25-9-2-6-15-31(25)36-33(24)26/h1-20H.
What are the key properties of 6-(4-dibenzothiophen-4-ylphenyl)indolo[1,2-a]quinoxaline?
6-(4-dibenzothiophen-4-ylphenyl)indolo[1,2-a]quinoxaline has a molecular weight of 476.60 g/mol, XLogP of 9.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-dibenzothiophen-4-ylphenyl)indolo[1,2-a]quinoxaline is sourced from PubChem (CID 145180261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).