2,6-bis[3-(9H-carbazol-4-yl)imidazo[4,5-b]pyridin-2-yl]-N,N-diphenylpyridin-4-amine

C53H34N10 — CID 137434136

IUPAC2,6-bis[3-(9H-carbazol-4-yl)imidazo[4,5-b]pyridin-2-yl]-N,N-diphenylpyridin-4-amine
SMILESc1ccc(N(c2ccccc2)c2cc(-c3nc4cccnc4n3-c3cccc4[nH]c5ccccc5c34)nc(-c3nc4cccnc4n3-c3cccc4[nH]c5ccccc5c34)c2)cc1
InChIInChI=1S/C53H34N10/c1-3-15-33(16-4-1)61(34-17-5-2-6-18-34)35-31-44(52-59-42-25-13-29-54-50(42)62(52)46-27-11-23-40-48(46)36-19-7-9-21-38(36)56-40)58-45(32-35)53-60-43-26-14-30-55-51(43)63(53)47-28-12-24-41-49(47)37-20-8-10-22-39(37)57-41/h1-32,56-57H
InChIKeyYIMZJVVFFHIORX-UHFFFAOYSA-N
MW810.93 g/mol
LogP12.62
Rot. Bonds7

About 2,6-bis[3-(9H-carbazol-4-yl)imidazo[4,5-b]pyridin-2-yl]-N,N-diphenylpyridin-4-amine

2,6-bis[3-(9H-carbazol-4-yl)imidazo[4,5-b]pyridin-2-yl]-N,N-diphenylpyridin-4-amine (PubChem CID 137434136) has the molecular formula C53H34N10 and a molecular weight of 810.93 g/mol. Its IUPAC name is 2,6-bis[3-(9H-carbazol-4-yl)imidazo[4,5-b]pyridin-2-yl]-N,N-diphenylpyridin-4-amine.

Molecular Properties

Compound Name2,6-bis[3-(9H-carbazol-4-yl)imidazo[4,5-b]pyridin-2-yl]-N,N-diphenylpyridin-4-amine
PubChem CID137434136
Molecular FormulaC53H34N10
Molecular Weight810.93 g/mol
Exact Mass810.30
IUPAC Name2,6-bis[3-(9H-carbazol-4-yl)imidazo[4,5-b]pyridin-2-yl]-N,N-diphenylpyridin-4-amine
SMILESc1ccc(N(c2ccccc2)c2cc(-c3nc4cccnc4n3-c3cccc4[nH]c5ccccc5c34)nc(-c3nc4cccnc4n3-c3cccc4[nH]c5ccccc5c34)c2)cc1
InChIInChI=1S/C53H34N10/c1-3-15-33(16-4-1)61(34-17-5-2-6-18-34)35-31-44(52-59-42-25-13-29-54-50(42)62(52)46-27-11-23-40-48(46)36-19-7-9-21-38(36)56-40)58-45(32-35)53-60-43-26-14-30-55-51(43)63(53)47-28-12-24-41-49(47)37-20-8-10-22-39(37)57-41/h1-32,56-57H
InChIKeyYIMZJVVFFHIORX-UHFFFAOYSA-N
XLogP12.62
TPSA109.13 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500810.93
LogP ≤ 512.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis[3-(9H-carbazol-4-yl)imidazo[4,5-b]pyridin-2-yl]-N,N-diphenylpyridin-4-amine?
The IUPAC name of 2,6-bis[3-(9H-carbazol-4-yl)imidazo[4,5-b]pyridin-2-yl]-N,N-diphenylpyridin-4-amine (CID 137434136) is 2,6-bis[3-(9H-carbazol-4-yl)imidazo[4,5-b]pyridin-2-yl]-N,N-diphenylpyridin-4-amine.
What is the SMILES notation for 2,6-bis[3-(9H-carbazol-4-yl)imidazo[4,5-b]pyridin-2-yl]-N,N-diphenylpyridin-4-amine?
The canonical SMILES for 2,6-bis[3-(9H-carbazol-4-yl)imidazo[4,5-b]pyridin-2-yl]-N,N-diphenylpyridin-4-amine is c1ccc(N(c2ccccc2)c2cc(-c3nc4cccnc4n3-c3cccc4[nH]c5ccccc5c34)nc(-c3nc4cccnc4n3-c3cccc4[nH]c5ccccc5c34)c2)cc1.
What is the InChIKey of 2,6-bis[3-(9H-carbazol-4-yl)imidazo[4,5-b]pyridin-2-yl]-N,N-diphenylpyridin-4-amine?
The InChIKey is YIMZJVVFFHIORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N10/c1-3-15-33(16-4-1)61(34-17-5-2-6-18-34)35-31-44(52-59-42-25-13-29-54-50(42)62(52)46-27-11-23-40-48(46)36-19-7-9-21-38(36)56-40)58-45(32-35)53-60-43-26-14-30-55-51(43)63(53)47-28-12-24-41-49(47)37-20-8-10-22-39(37)57-41/h1-32,56-57H.
What are the key properties of 2,6-bis[3-(9H-carbazol-4-yl)imidazo[4,5-b]pyridin-2-yl]-N,N-diphenylpyridin-4-amine?
2,6-bis[3-(9H-carbazol-4-yl)imidazo[4,5-b]pyridin-2-yl]-N,N-diphenylpyridin-4-amine has a molecular weight of 810.93 g/mol, XLogP of 12.62, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[3-(9H-carbazol-4-yl)imidazo[4,5-b]pyridin-2-yl]-N,N-diphenylpyridin-4-amine is sourced from PubChem (CID 137434136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).