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

C47H29N3S — CID 70847781

IUPAC6-carbazol-9-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]pyrido[2,3-b]indole
SMILESc1cc(-c2cccc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cccnc43)c2)cc(-c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C47H29N3S/c1-4-21-42-36(15-1)37-16-2-5-22-43(37)49(42)34-24-25-44-41(29-34)40-20-10-26-48-47(40)50(44)33-14-8-12-31(28-33)30-11-7-13-32(27-30)35-18-9-19-39-38-17-3-6-23-45(38)51-46(35)39/h1-29H
InChIKeySSWRRUNKTWEIBM-UHFFFAOYSA-N
MW667.84 g/mol
LogP12.98
Rot. Bonds4

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

6-carbazol-9-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]pyrido[2,3-b]indole (PubChem CID 70847781) has the molecular formula C47H29N3S and a molecular weight of 667.84 g/mol. Its IUPAC name is 6-carbazol-9-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]pyrido[2,3-b]indole.

Molecular Properties

Compound Name6-carbazol-9-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]pyrido[2,3-b]indole
PubChem CID70847781
Molecular FormulaC47H29N3S
Molecular Weight667.84 g/mol
Exact Mass667.21
IUPAC Name6-carbazol-9-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]pyrido[2,3-b]indole
SMILESc1cc(-c2cccc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cccnc43)c2)cc(-c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C47H29N3S/c1-4-21-42-36(15-1)37-16-2-5-22-43(37)49(42)34-24-25-44-41(29-34)40-20-10-26-48-47(40)50(44)33-14-8-12-31(28-33)30-11-7-13-32(27-30)35-18-9-19-39-38-17-3-6-23-45(38)51-46(35)39/h1-29H
InChIKeySSWRRUNKTWEIBM-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-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
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
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-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]pyrido[3,4-b]indole
CID 70847777
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 6-carbazol-9-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]pyrido[2,3-b]indole?
The IUPAC name of 6-carbazol-9-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]pyrido[2,3-b]indole (CID 70847781) is 6-carbazol-9-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]pyrido[2,3-b]indole.
What is the SMILES notation for 6-carbazol-9-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]pyrido[2,3-b]indole?
The canonical SMILES for 6-carbazol-9-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]pyrido[2,3-b]indole is c1cc(-c2cccc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cccnc43)c2)cc(-c2cccc3c2sc2ccccc23)c1.
What is the InChIKey of 6-carbazol-9-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]pyrido[2,3-b]indole?
The InChIKey is SSWRRUNKTWEIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N3S/c1-4-21-42-36(15-1)37-16-2-5-22-43(37)49(42)34-24-25-44-41(29-34)40-20-10-26-48-47(40)50(44)33-14-8-12-31(28-33)30-11-7-13-32(27-30)35-18-9-19-39-38-17-3-6-23-45(38)51-46(35)39/h1-29H.
What are the key properties of 6-carbazol-9-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]pyrido[2,3-b]indole?
6-carbazol-9-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]pyrido[2,3-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 6-carbazol-9-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]pyrido[2,3-b]indole is sourced from PubChem (CID 70847781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).