5-[3,5-bis[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]phenyl]pyrido[4,3-b]indole

C49H32N6 — CID 164785743

IUPAC5-[3,5-bis[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]phenyl]pyrido[4,3-b]indole
SMILESc1cc(-c2cncc(-c3ccncc3)c2)cc(-c2cc(-c3cccc(-c4cncc(-c5ccncc5)c4)c3)cc(-n3c4ccccc4c4cnccc43)c2)c1
InChIInChI=1S/C49H32N6/c1-2-10-48-46(9-1)47-32-52-20-15-49(47)55(48)45-26-39(35-5-3-7-37(21-35)43-24-41(28-53-30-43)33-11-16-50-17-12-33)23-40(27-45)36-6-4-8-38(22-36)44-25-42(29-54-31-44)34-13-18-51-19-14-34/h1-32H
InChIKeyYTOFCGAEOMQSSO-UHFFFAOYSA-N
MW704.84 g/mol
LogP11.76
Rot. Bonds7

About 5-[3,5-bis[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]phenyl]pyrido[4,3-b]indole

5-[3,5-bis[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]phenyl]pyrido[4,3-b]indole (PubChem CID 164785743) has the molecular formula C49H32N6 and a molecular weight of 704.84 g/mol. Its IUPAC name is 5-[3,5-bis[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]phenyl]pyrido[4,3-b]indole.

Molecular Properties

Compound Name5-[3,5-bis[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]phenyl]pyrido[4,3-b]indole
PubChem CID164785743
Molecular FormulaC49H32N6
Molecular Weight704.84 g/mol
Exact Mass704.27
IUPAC Name5-[3,5-bis[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]phenyl]pyrido[4,3-b]indole
SMILESc1cc(-c2cncc(-c3ccncc3)c2)cc(-c2cc(-c3cccc(-c4cncc(-c5ccncc5)c4)c3)cc(-n3c4ccccc4c4cnccc43)c2)c1
InChIInChI=1S/C49H32N6/c1-2-10-48-46(9-1)47-32-52-20-15-49(47)55(48)45-26-39(35-5-3-7-37(21-35)43-24-41(28-53-30-43)33-11-16-50-17-12-33)23-40(27-45)36-6-4-8-38(22-36)44-25-42(29-54-31-44)34-13-18-51-19-14-34/h1-32H
InChIKeyYTOFCGAEOMQSSO-UHFFFAOYSA-N
XLogP11.76
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.84
LogP ≤ 511.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[3-(3,5-diphenylphenyl)-5-methylphenyl]pyrido[4,3-b]indole
CID 143691808
9-[3-[3-[5-[3-(3-carbazol-9-ylphenyl)phenyl]-3-pyridinyl]phenyl]phenyl]carbazole
CID 122622889
9-[3-[10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]carbazole
CID 58273653
9-[4-[5-[4-(3-carbazol-9-ylphenyl)phenyl]-3-pyridinyl]phenyl]carbazole
CID 59372061
9-[3-[5-(3-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]carbazole;3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-phenylcarbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 159084333
8-phenyl-5-[4-[5-[4-(8-phenylpyrido[4,3-b]indol-5-yl)phenyl]-3-pyridinyl]phenyl]pyrido[4,3-b]indole
CID 59372042
3-[3-(10-phenylanthracen-9-yl)phenyl]-5-pyrido[4,3-b]indol-5-ylbenzonitrile
CID 167336690
5-(3-carbazol-9-ylphenyl)-8-phenylpyrido[4,3-b]indole
CID 170060228
9-(3,5-diphenylphenyl)carbazole
CID 86068368
5-[6-[6-(3,5-diphenylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[4,3-b]indole
CID 59480357
5-[5-(8-carbazol-9-yldibenzofuran-2-yl)-3-pyridinyl]pyrido[4,3-b]indole
CID 89433740
5-[3-(3,5-diphenylphenyl)-5-methylphenyl]pyrido[4,3-b]indole;ethane;4-methyl-3-(2-methylphenyl)pyridine
CID 143691807

Frequently Asked Questions

What is the IUPAC name of 5-[3,5-bis[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]phenyl]pyrido[4,3-b]indole?
The IUPAC name of 5-[3,5-bis[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]phenyl]pyrido[4,3-b]indole (CID 164785743) is 5-[3,5-bis[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]phenyl]pyrido[4,3-b]indole.
What is the SMILES notation for 5-[3,5-bis[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]phenyl]pyrido[4,3-b]indole?
The canonical SMILES for 5-[3,5-bis[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]phenyl]pyrido[4,3-b]indole is c1cc(-c2cncc(-c3ccncc3)c2)cc(-c2cc(-c3cccc(-c4cncc(-c5ccncc5)c4)c3)cc(-n3c4ccccc4c4cnccc43)c2)c1.
What is the InChIKey of 5-[3,5-bis[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]phenyl]pyrido[4,3-b]indole?
The InChIKey is YTOFCGAEOMQSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N6/c1-2-10-48-46(9-1)47-32-52-20-15-49(47)55(48)45-26-39(35-5-3-7-37(21-35)43-24-41(28-53-30-43)33-11-16-50-17-12-33)23-40(27-45)36-6-4-8-38(22-36)44-25-42(29-54-31-44)34-13-18-51-19-14-34/h1-32H.
What are the key properties of 5-[3,5-bis[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]phenyl]pyrido[4,3-b]indole?
5-[3,5-bis[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]phenyl]pyrido[4,3-b]indole has a molecular weight of 704.84 g/mol, XLogP of 11.76, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,5-bis[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]phenyl]pyrido[4,3-b]indole is sourced from PubChem (CID 164785743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).