3-carbazol-9-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]pyrido[3,4-b]indole

C47H29N3S — CID 70847777

IUPAC3-carbazol-9-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]pyrido[3,4-b]indole
SMILESc1cc(-c2cccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ncc43)c2)cc(-c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C47H29N3S/c1-6-23-42-35(16-1)36-17-2-7-24-43(36)50(42)46-28-40-37-18-3-5-22-41(37)49(44(40)29-48-46)33-15-10-13-31(27-33)30-12-9-14-32(26-30)34-20-11-21-39-38-19-4-8-25-45(38)51-47(34)39/h1-29H
InChIKeyKRQZXHQXEFYTGJ-UHFFFAOYSA-N
MW667.84 g/mol
LogP12.98
Rot. Bonds4

About 3-carbazol-9-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]pyrido[3,4-b]indole

3-carbazol-9-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]pyrido[3,4-b]indole (PubChem CID 70847777) has the molecular formula C47H29N3S and a molecular weight of 667.84 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]pyrido[3,4-b]indole.

Molecular Properties

Compound Name3-carbazol-9-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]pyrido[3,4-b]indole
PubChem CID70847777
Molecular FormulaC47H29N3S
Molecular Weight667.84 g/mol
Exact Mass667.21
IUPAC Name3-carbazol-9-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]pyrido[3,4-b]indole
SMILESc1cc(-c2cccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ncc43)c2)cc(-c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C47H29N3S/c1-6-23-42-35(16-1)36-17-2-7-24-43(36)50(42)46-28-40-37-18-3-5-22-41(37)49(44(40)29-48-46)33-15-10-13-31(27-33)30-12-9-14-32(26-30)34-20-11-21-39-38-19-4-8-25-45(38)51-47(34)39/h1-29H
InChIKeyKRQZXHQXEFYTGJ-UHFFFAOYSA-N
XLogP12.98
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.84
LogP ≤ 512.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]carbazole
CID 67121574
9-(3-dibenzothiophen-4-ylphenyl)carbazole
CID 139307554
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-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065103
bis(3-carbazol-9-ylphenyl)-diphenylsilane;9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole
CID 161133194
6-carbazol-9-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]pyrido[2,3-b]indole
CID 70847781
6-[3-(3-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-c]pyridine
CID 59413694
7-(3-carbazol-9-ylphenyl)-10-(3-dibenzothiophen-4-ylphenyl)phenanthro[9,10-b]pyrazine
CID 89417098
9-[3-[6-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]phenyl]carbazole
CID 140627731
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
2-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole
CID 122492279
2-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]-9-[3-(3-phenylphenyl)phenyl]carbazole
CID 122492281

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]pyrido[3,4-b]indole?
The IUPAC name of 3-carbazol-9-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]pyrido[3,4-b]indole (CID 70847777) is 3-carbazol-9-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]pyrido[3,4-b]indole.
What is the SMILES notation for 3-carbazol-9-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]pyrido[3,4-b]indole?
The canonical SMILES for 3-carbazol-9-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]pyrido[3,4-b]indole is c1cc(-c2cccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ncc43)c2)cc(-c2cccc3c2sc2ccccc23)c1.
What is the InChIKey of 3-carbazol-9-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]pyrido[3,4-b]indole?
The InChIKey is KRQZXHQXEFYTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N3S/c1-6-23-42-35(16-1)36-17-2-7-24-43(36)50(42)46-28-40-37-18-3-5-22-41(37)49(44(40)29-48-46)33-15-10-13-31(27-33)30-12-9-14-32(26-30)34-20-11-21-39-38-19-4-8-25-45(38)51-47(34)39/h1-29H.
What are the key properties of 3-carbazol-9-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]pyrido[3,4-b]indole?
3-carbazol-9-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]pyrido[3,4-b]indole has a molecular weight of 667.84 g/mol, XLogP of 12.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]pyrido[3,4-b]indole is sourced from PubChem (CID 70847777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).