3-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-3-yl]-9-phenylpyrido[2,3-b]indole

C52H34N4 — CID 129221974

IUPAC3-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-3-yl]-9-phenylpyrido[2,3-b]indole
SMILESc1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5cc(-c6cnc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C52H34N4/c1-4-15-35(16-5-1)47-32-39(33-48(54-47)36-17-6-2-7-18-36)37-19-14-22-42(29-37)55-49-25-12-10-23-43(49)45-30-38(27-28-51(45)55)40-31-46-44-24-11-13-26-50(44)56(52(46)53-34-40)41-20-8-3-9-21-41/h1-34H
InChIKeyLIWWLQRZKDUGFL-UHFFFAOYSA-N
MW714.87 g/mol
LogP13.34
Rot. Bonds6

About 3-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-3-yl]-9-phenylpyrido[2,3-b]indole

3-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-3-yl]-9-phenylpyrido[2,3-b]indole (PubChem CID 129221974) has the molecular formula C52H34N4 and a molecular weight of 714.87 g/mol. Its IUPAC name is 3-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-3-yl]-9-phenylpyrido[2,3-b]indole.

Molecular Properties

Compound Name3-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-3-yl]-9-phenylpyrido[2,3-b]indole
PubChem CID129221974
Molecular FormulaC52H34N4
Molecular Weight714.87 g/mol
Exact Mass714.28
IUPAC Name3-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-3-yl]-9-phenylpyrido[2,3-b]indole
SMILESc1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5cc(-c6cnc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C52H34N4/c1-4-15-35(16-5-1)47-32-39(33-48(54-47)36-17-6-2-7-18-36)37-19-14-22-42(29-37)55-49-25-12-10-23-43(49)45-30-38(27-28-51(45)55)40-31-46-44-24-11-13-26-50(44)56(52(46)53-34-40)41-20-8-3-9-21-41/h1-34H
InChIKeyLIWWLQRZKDUGFL-UHFFFAOYSA-N
XLogP13.34
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.87
LogP ≤ 513.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-3-yl]-9-phenylpyrido[2,3-b]indole?
The IUPAC name of 3-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-3-yl]-9-phenylpyrido[2,3-b]indole (CID 129221974) is 3-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-3-yl]-9-phenylpyrido[2,3-b]indole.
What is the SMILES notation for 3-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-3-yl]-9-phenylpyrido[2,3-b]indole?
The canonical SMILES for 3-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-3-yl]-9-phenylpyrido[2,3-b]indole is c1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5cc(-c6cnc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of 3-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-3-yl]-9-phenylpyrido[2,3-b]indole?
The InChIKey is LIWWLQRZKDUGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N4/c1-4-15-35(16-5-1)47-32-39(33-48(54-47)36-17-6-2-7-18-36)37-19-14-22-42(29-37)55-49-25-12-10-23-43(49)45-30-38(27-28-51(45)55)40-31-46-44-24-11-13-26-50(44)56(52(46)53-34-40)41-20-8-3-9-21-41/h1-34H.
What are the key properties of 3-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-3-yl]-9-phenylpyrido[2,3-b]indole?
3-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-3-yl]-9-phenylpyrido[2,3-b]indole has a molecular weight of 714.87 g/mol, XLogP of 13.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-3-yl]-9-phenylpyrido[2,3-b]indole is sourced from PubChem (CID 129221974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).