9-[9-(benzenesulfonyl)-6-(6-phenylpyrido[2,3-b]indol-9-yl)carbazol-3-yl]-6-phenylpyrido[2,3-b]indole

C52H33N5O2S — CID 70661053

IUPAC9-[9-(benzenesulfonyl)-6-(6-phenylpyrido[2,3-b]indol-9-yl)carbazol-3-yl]-6-phenylpyrido[2,3-b]indole
SMILESO=S(=O)(c1ccccc1)n1c2ccc(-n3c4ccc(-c5ccccc5)cc4c4cccnc43)cc2c2cc(-n3c4ccc(-c5ccccc5)cc4c4cccnc43)ccc21
InChIInChI=1S/C52H33N5O2S/c58-60(59,40-16-8-3-9-17-40)57-49-26-22-38(55-47-24-20-36(34-12-4-1-5-13-34)30-43(47)41-18-10-28-53-51(41)55)32-45(49)46-33-39(23-27-50(46)57)56-48-25-21-37(35-14-6-2-7-15-35)31-44(48)42-19-11-29-54-52(42)56/h1-33H
InChIKeyGYBRLPWWIFEBNG-UHFFFAOYSA-N
MW791.94 g/mol
LogP12.35
Rot. Bonds6

About 9-[9-(benzenesulfonyl)-6-(6-phenylpyrido[2,3-b]indol-9-yl)carbazol-3-yl]-6-phenylpyrido[2,3-b]indole

9-[9-(benzenesulfonyl)-6-(6-phenylpyrido[2,3-b]indol-9-yl)carbazol-3-yl]-6-phenylpyrido[2,3-b]indole (PubChem CID 70661053) has the molecular formula C52H33N5O2S and a molecular weight of 791.94 g/mol. Its IUPAC name is 9-[9-(benzenesulfonyl)-6-(6-phenylpyrido[2,3-b]indol-9-yl)carbazol-3-yl]-6-phenylpyrido[2,3-b]indole.

Molecular Properties

Compound Name9-[9-(benzenesulfonyl)-6-(6-phenylpyrido[2,3-b]indol-9-yl)carbazol-3-yl]-6-phenylpyrido[2,3-b]indole
PubChem CID70661053
Molecular FormulaC52H33N5O2S
Molecular Weight791.94 g/mol
Exact Mass791.24
IUPAC Name9-[9-(benzenesulfonyl)-6-(6-phenylpyrido[2,3-b]indol-9-yl)carbazol-3-yl]-6-phenylpyrido[2,3-b]indole
SMILESO=S(=O)(c1ccccc1)n1c2ccc(-n3c4ccc(-c5ccccc5)cc4c4cccnc43)cc2c2cc(-n3c4ccc(-c5ccccc5)cc4c4cccnc43)ccc21
InChIInChI=1S/C52H33N5O2S/c58-60(59,40-16-8-3-9-17-40)57-49-26-22-38(55-47-24-20-36(34-12-4-1-5-13-34)30-43(47)41-18-10-28-53-51(41)55)32-45(49)46-33-39(23-27-50(46)57)56-48-25-21-37(35-14-6-2-7-15-35)31-44(48)42-19-11-29-54-52(42)56/h1-33H
InChIKeyGYBRLPWWIFEBNG-UHFFFAOYSA-N
XLogP12.35
TPSA74.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.94
LogP ≤ 512.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 9-[9-(benzenesulfonyl)-6-(6-phenylpyrido[2,3-b]indol-9-yl)carbazol-3-yl]-6-phenylpyrido[2,3-b]indole?
The IUPAC name of 9-[9-(benzenesulfonyl)-6-(6-phenylpyrido[2,3-b]indol-9-yl)carbazol-3-yl]-6-phenylpyrido[2,3-b]indole (CID 70661053) is 9-[9-(benzenesulfonyl)-6-(6-phenylpyrido[2,3-b]indol-9-yl)carbazol-3-yl]-6-phenylpyrido[2,3-b]indole.
What is the SMILES notation for 9-[9-(benzenesulfonyl)-6-(6-phenylpyrido[2,3-b]indol-9-yl)carbazol-3-yl]-6-phenylpyrido[2,3-b]indole?
The canonical SMILES for 9-[9-(benzenesulfonyl)-6-(6-phenylpyrido[2,3-b]indol-9-yl)carbazol-3-yl]-6-phenylpyrido[2,3-b]indole is O=S(=O)(c1ccccc1)n1c2ccc(-n3c4ccc(-c5ccccc5)cc4c4cccnc43)cc2c2cc(-n3c4ccc(-c5ccccc5)cc4c4cccnc43)ccc21.
What is the InChIKey of 9-[9-(benzenesulfonyl)-6-(6-phenylpyrido[2,3-b]indol-9-yl)carbazol-3-yl]-6-phenylpyrido[2,3-b]indole?
The InChIKey is GYBRLPWWIFEBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N5O2S/c58-60(59,40-16-8-3-9-17-40)57-49-26-22-38(55-47-24-20-36(34-12-4-1-5-13-34)30-43(47)41-18-10-28-53-51(41)55)32-45(49)46-33-39(23-27-50(46)57)56-48-25-21-37(35-14-6-2-7-15-35)31-44(48)42-19-11-29-54-52(42)56/h1-33H.
What are the key properties of 9-[9-(benzenesulfonyl)-6-(6-phenylpyrido[2,3-b]indol-9-yl)carbazol-3-yl]-6-phenylpyrido[2,3-b]indole?
9-[9-(benzenesulfonyl)-6-(6-phenylpyrido[2,3-b]indol-9-yl)carbazol-3-yl]-6-phenylpyrido[2,3-b]indole has a molecular weight of 791.94 g/mol, XLogP of 12.35, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[9-(benzenesulfonyl)-6-(6-phenylpyrido[2,3-b]indol-9-yl)carbazol-3-yl]-6-phenylpyrido[2,3-b]indole is sourced from PubChem (CID 70661053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).