9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-(6-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indol-9-yl)pyrido[2,3-b]indole

C57H34N6S — CID 70847801

IUPAC9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-(6-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indol-9-yl)pyrido[2,3-b]indole
SMILESc1cc(-c2cccc(-n3c4ccc(-n5c6ccc(-n7c8ccccc8c8cccnc87)cc6c6cccnc65)cc4c4cccnc43)c2)cc(-c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C57H34N6S/c1-3-22-50-42(15-1)45-19-8-28-58-55(45)62(50)39-24-27-52-49(33-39)47-21-10-30-60-57(47)63(52)40-25-26-51-48(34-40)46-20-9-29-59-56(46)61(51)38-14-6-12-36(32-38)35-11-5-13-37(31-35)41-17-7-18-44-43-16-2-4-23-53(43)64-54(41)44/h1-34H
InChIKeyDOMIVZQOJHAREI-UHFFFAOYSA-N
MW835.01 g/mol
LogP14.86
Rot. Bonds5

About 9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-(6-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indol-9-yl)pyrido[2,3-b]indole

9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-(6-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indol-9-yl)pyrido[2,3-b]indole (PubChem CID 70847801) has the molecular formula C57H34N6S and a molecular weight of 835.01 g/mol. Its IUPAC name is 9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-(6-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indol-9-yl)pyrido[2,3-b]indole.

Molecular Properties

Compound Name9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-(6-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indol-9-yl)pyrido[2,3-b]indole
PubChem CID70847801
Molecular FormulaC57H34N6S
Molecular Weight835.01 g/mol
Exact Mass834.26
IUPAC Name9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-(6-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indol-9-yl)pyrido[2,3-b]indole
SMILESc1cc(-c2cccc(-n3c4ccc(-n5c6ccc(-n7c8ccccc8c8cccnc87)cc6c6cccnc65)cc4c4cccnc43)c2)cc(-c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C57H34N6S/c1-3-22-50-42(15-1)45-19-8-28-58-55(45)62(50)39-24-27-52-49(33-39)47-21-10-30-60-57(47)63(52)40-25-26-51-48(34-40)46-20-9-29-59-56(46)61(51)38-14-6-12-36(32-38)35-11-5-13-37(31-35)41-17-7-18-44-43-16-2-4-23-53(43)64-54(41)44/h1-34H
InChIKeyDOMIVZQOJHAREI-UHFFFAOYSA-N
XLogP14.86
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500835.01
LogP ≤ 514.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-(6-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indol-9-yl)pyrido[2,3-b]indole with MolForge

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Related Compounds

6-carbazol-9-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]pyrido[2,3-b]indole
CID 70847781
9-[9-[4-(3-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazol-3-yl]pyrido[2,3-b]indole
CID 70847787
9-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]carbazole
CID 67121574
9-[3-(3-carbazol-9-ylphenyl)phenyl]-20-thia-7,9-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene
CID 139575247
9-(3-dibenzothiophen-4-ylphenyl)carbazole
CID 139307554
9-dibenzothiophen-4-yl-6-[9-(3,5-diphenylphenyl)carbazol-3-yl]pyrido[2,3-b]indole
CID 146187552
6-[3-(3-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine
CID 122693061
3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065103
3-carbazol-9-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]pyrido[3,4-b]indole
CID 70847777
9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole;9-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]carbazole;9-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]carbazole;9-[3-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]phenyl]carbazole
CID 158652173
3-carbazol-9-yl-9-(6-dibenzothiophen-4-yldibenzofuran-2-yl)carbazole;9-(6-dibenzofuran-4-yldibenzofuran-2-yl)pyrido[2,3-b]indole;3,6-di(carbazol-9-yl)-9-(6-dibenzofuran-4-yldibenzofuran-2-yl)carbazole
CID 162014946
3-carbazol-9-yl-9-[4-[2-(3-carbazol-9-ylphenyl)-4-dibenzothiophen-2-ylphenyl]-3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole
CID 166807262

Frequently Asked Questions

What is the IUPAC name of 9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-(6-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indol-9-yl)pyrido[2,3-b]indole?
The IUPAC name of 9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-(6-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indol-9-yl)pyrido[2,3-b]indole (CID 70847801) is 9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-(6-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indol-9-yl)pyrido[2,3-b]indole.
What is the SMILES notation for 9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-(6-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indol-9-yl)pyrido[2,3-b]indole?
The canonical SMILES for 9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-(6-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indol-9-yl)pyrido[2,3-b]indole is c1cc(-c2cccc(-n3c4ccc(-n5c6ccc(-n7c8ccccc8c8cccnc87)cc6c6cccnc65)cc4c4cccnc43)c2)cc(-c2cccc3c2sc2ccccc23)c1.
What is the InChIKey of 9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-(6-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indol-9-yl)pyrido[2,3-b]indole?
The InChIKey is DOMIVZQOJHAREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H34N6S/c1-3-22-50-42(15-1)45-19-8-28-58-55(45)62(50)39-24-27-52-49(33-39)47-21-10-30-60-57(47)63(52)40-25-26-51-48(34-40)46-20-9-29-59-56(46)61(51)38-14-6-12-36(32-38)35-11-5-13-37(31-35)41-17-7-18-44-43-16-2-4-23-53(43)64-54(41)44/h1-34H.
What are the key properties of 9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-(6-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indol-9-yl)pyrido[2,3-b]indole?
9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-(6-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indol-9-yl)pyrido[2,3-b]indole has a molecular weight of 835.01 g/mol, XLogP of 14.86, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-(6-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indol-9-yl)pyrido[2,3-b]indole is sourced from PubChem (CID 70847801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).