1-pyridin-2-yl-3,6-dipyridin-3-yl-8-(3-pyridin-2-ylphenyl)-9H-carbazole

C38H25N5 — CID 140902369

IUPAC1-pyridin-2-yl-3,6-dipyridin-3-yl-8-(3-pyridin-2-ylphenyl)-9H-carbazole
SMILESc1ccc(-c2cccc(-c3cc(-c4cccnc4)cc4c3[nH]c3c(-c5ccccn5)cc(-c5cccnc5)cc34)c2)nc1
InChIInChI=1S/C38H25N5/c1-3-16-41-35(12-1)26-9-5-8-25(18-26)31-19-29(27-10-6-14-39-23-27)20-32-33-21-30(28-11-7-15-40-24-28)22-34(38(33)43-37(31)32)36-13-2-4-17-42-36/h1-24,43H
InChIKeyBENBPNUKZRKCMP-UHFFFAOYSA-N
MW551.65 g/mol
LogP9.24
Rot. Bonds5

About 1-pyridin-2-yl-3,6-dipyridin-3-yl-8-(3-pyridin-2-ylphenyl)-9H-carbazole

1-pyridin-2-yl-3,6-dipyridin-3-yl-8-(3-pyridin-2-ylphenyl)-9H-carbazole (PubChem CID 140902369) has the molecular formula C38H25N5 and a molecular weight of 551.65 g/mol. Its IUPAC name is 1-pyridin-2-yl-3,6-dipyridin-3-yl-8-(3-pyridin-2-ylphenyl)-9H-carbazole.

Molecular Properties

Compound Name1-pyridin-2-yl-3,6-dipyridin-3-yl-8-(3-pyridin-2-ylphenyl)-9H-carbazole
PubChem CID140902369
Molecular FormulaC38H25N5
Molecular Weight551.65 g/mol
Exact Mass551.21
IUPAC Name1-pyridin-2-yl-3,6-dipyridin-3-yl-8-(3-pyridin-2-ylphenyl)-9H-carbazole
SMILESc1ccc(-c2cccc(-c3cc(-c4cccnc4)cc4c3[nH]c3c(-c5ccccn5)cc(-c5cccnc5)cc34)c2)nc1
InChIInChI=1S/C38H25N5/c1-3-16-41-35(12-1)26-9-5-8-25(18-26)31-19-29(27-10-6-14-39-23-27)20-32-33-21-30(28-11-7-15-40-24-28)22-34(38(33)43-37(31)32)36-13-2-4-17-42-36/h1-24,43H
InChIKeyBENBPNUKZRKCMP-UHFFFAOYSA-N
XLogP9.24
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.65
LogP ≤ 59.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-pyridin-3-yl-5-(4-triphenylen-2-ylphenyl)phenyl]pyridine
CID 118583016
4-(3-pyridin-2-ylphenyl)-2-[4-(3-pyridin-3-ylphenyl)-2-pyridinyl]pyridine
CID 130326858
5-[3-[3-[3-[3-phenyl-5-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine;5-[3-[3-[3-[3-pyridin-3-yl-5-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine
CID 165106761
bis(2-[3-[3-phenyl-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylphenyl]pyridine);3-[3-[3-phenyl-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylphenyl]pyridine;4-[3-[3-phenyl-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-5-pyridin-4-ylphenyl]pyridine
CID 167601942
2-[3-pyridin-3-yl-5-[2-(4-triphenylen-2-ylphenyl)phenyl]phenyl]pyridine
CID 118014153
2-[3-pyridin-3-yl-5-[2-(2-triphenylen-2-ylphenyl)phenyl]phenyl]pyridine;3-[3-pyridin-3-yl-5-[2-(2-triphenylen-2-ylphenyl)phenyl]phenyl]pyridine;4-[3-pyridin-4-yl-5-[2-(2-triphenylen-2-ylphenyl)phenyl]phenyl]pyridine
CID 161303910
bis(2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazine);2-phenyl-4,6-bis[3-[3-(2-pyridin-2-ylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[3-[3-(5-pyridin-3-yl-2-pyridinyl)phenyl]phenyl]-1,3,5-triazine
CID 158902539
2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazine;2-phenyl-4,6-bis[3-[3-(2-pyridin-2-ylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[3-[3-(5-pyridin-3-yl-2-pyridinyl)phenyl]phenyl]-1,3,5-triazine
CID 159312458
1-[4-phenyl-6-(3-phenylphenyl)-2-pyridinyl]-8-pyridin-2-yl-9H-carbazole
CID 140902230
3,6-ditert-butyl-1-[3-[5-[4-tert-butyl-2,6-di(propan-2-yl)phenyl]-2-pyridinyl]phenyl]-8-pyridin-2-yl-9H-carbazole
CID 164731233
2-pyridin-3-ylpyridine;dihydrochloride
CID 67024611
2,6-dipyridin-2-yl-4-[4-(3-pyridin-3-ylphenyl)phenyl]pyridine
CID 126730922

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-yl-3,6-dipyridin-3-yl-8-(3-pyridin-2-ylphenyl)-9H-carbazole?
The IUPAC name of 1-pyridin-2-yl-3,6-dipyridin-3-yl-8-(3-pyridin-2-ylphenyl)-9H-carbazole (CID 140902369) is 1-pyridin-2-yl-3,6-dipyridin-3-yl-8-(3-pyridin-2-ylphenyl)-9H-carbazole.
What is the SMILES notation for 1-pyridin-2-yl-3,6-dipyridin-3-yl-8-(3-pyridin-2-ylphenyl)-9H-carbazole?
The canonical SMILES for 1-pyridin-2-yl-3,6-dipyridin-3-yl-8-(3-pyridin-2-ylphenyl)-9H-carbazole is c1ccc(-c2cccc(-c3cc(-c4cccnc4)cc4c3[nH]c3c(-c5ccccn5)cc(-c5cccnc5)cc34)c2)nc1.
What is the InChIKey of 1-pyridin-2-yl-3,6-dipyridin-3-yl-8-(3-pyridin-2-ylphenyl)-9H-carbazole?
The InChIKey is BENBPNUKZRKCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25N5/c1-3-16-41-35(12-1)26-9-5-8-25(18-26)31-19-29(27-10-6-14-39-23-27)20-32-33-21-30(28-11-7-15-40-24-28)22-34(38(33)43-37(31)32)36-13-2-4-17-42-36/h1-24,43H.
What are the key properties of 1-pyridin-2-yl-3,6-dipyridin-3-yl-8-(3-pyridin-2-ylphenyl)-9H-carbazole?
1-pyridin-2-yl-3,6-dipyridin-3-yl-8-(3-pyridin-2-ylphenyl)-9H-carbazole has a molecular weight of 551.65 g/mol, XLogP of 9.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-yl-3,6-dipyridin-3-yl-8-(3-pyridin-2-ylphenyl)-9H-carbazole is sourced from PubChem (CID 140902369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).