1-[6-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]-4-quinolin-8-yl-2-pyridinyl]-9H-carbazole

C49H32N4 — CID 140854140

IUPAC1-[6-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]-4-quinolin-8-yl-2-pyridinyl]-9H-carbazole
SMILESc1ccc(-c2cc(-c3cc(-c4ccccc4)ccn3)cc(-c3cc(-c4cccc5cccnc45)cc(-c4cccc5c4[nH]c4ccccc45)n3)c2)cc1
InChIInChI=1S/C49H32N4/c1-3-12-32(13-4-1)35-23-25-50-45(29-35)38-26-36(33-14-5-2-6-15-33)27-39(28-38)46-30-37(40-19-9-16-34-17-11-24-51-48(34)40)31-47(52-46)43-21-10-20-42-41-18-7-8-22-44(41)53-49(42)43/h1-31,53H
InChIKeyJAOJHQIGKPKAOL-UHFFFAOYSA-N
MW676.82 g/mol
LogP12.66
Rot. Bonds6

About 1-[6-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]-4-quinolin-8-yl-2-pyridinyl]-9H-carbazole

1-[6-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]-4-quinolin-8-yl-2-pyridinyl]-9H-carbazole (PubChem CID 140854140) has the molecular formula C49H32N4 and a molecular weight of 676.82 g/mol. Its IUPAC name is 1-[6-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]-4-quinolin-8-yl-2-pyridinyl]-9H-carbazole.

Molecular Properties

Compound Name1-[6-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]-4-quinolin-8-yl-2-pyridinyl]-9H-carbazole
PubChem CID140854140
Molecular FormulaC49H32N4
Molecular Weight676.82 g/mol
Exact Mass676.26
IUPAC Name1-[6-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]-4-quinolin-8-yl-2-pyridinyl]-9H-carbazole
SMILESc1ccc(-c2cc(-c3cc(-c4ccccc4)ccn3)cc(-c3cc(-c4cccc5cccnc45)cc(-c4cccc5c4[nH]c4ccccc45)n3)c2)cc1
InChIInChI=1S/C49H32N4/c1-3-12-32(13-4-1)35-23-25-50-45(29-35)38-26-36(33-14-5-2-6-15-33)27-39(28-38)46-30-37(40-19-9-16-34-17-11-24-51-48(34)40)31-47(52-46)43-21-10-20-42-41-18-7-8-22-44(41)53-49(42)43/h1-31,53H
InChIKeyJAOJHQIGKPKAOL-UHFFFAOYSA-N
XLogP12.66
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.82
LogP ≤ 512.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-[2-[6-(3-quinolin-8-ylphenyl)triphenylen-2-yl]-4-pyridinyl]quinoline
CID 167027860
1-[4-phenyl-6-(3-phenylphenyl)-2-pyridinyl]-8-pyridin-2-yl-9H-carbazole
CID 140902230
1-(4-pyridin-4-yl-2-pyridinyl)-9H-carbazole
CID 141396420
7-(3,5-diphenylphenyl)benzo[h]quinoline
CID 140719025
1-[1-tert-butyl-4-[4-(4-phenyl-2-pyridinyl)naphthalen-2-yl]benzimidazol-2-yl]-9H-carbazole
CID 140934353
8-(3-quinolin-8-ylphenyl)quinoline
CID 90955641
3,6-ditert-butyl-1-[4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]-1-propan-2-ylbenzimidazol-2-yl]-9H-carbazole
CID 140934602
8-[3-[10-[3-(2,4,6-triphenylphenyl)phenyl]anthracen-9-yl]phenyl]quinoline
CID 139394581
1-[1-methyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]-9H-carbazole
CID 140934482
1-(6-phenyl-2-pyridinyl)-9H-carbazole
CID 171438775
1-(3-pyridin-3-ylphenyl)-9H-carbazole
CID 154284139
4-[3,5-bis(4-phenyl-2-pyridinyl)phenyl]-2,6-diphenylpyridine;2-(3,5-dinaphthalen-1-ylphenyl)-4,6-bis(4-pyridin-2-ylphenyl)pyrimidine;2,6-diphenyl-4-[3-phenyl-5-(5-phenyl-2-pyridinyl)phenyl]pyridine
CID 159726197

Frequently Asked Questions

What is the IUPAC name of 1-[6-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]-4-quinolin-8-yl-2-pyridinyl]-9H-carbazole?
The IUPAC name of 1-[6-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]-4-quinolin-8-yl-2-pyridinyl]-9H-carbazole (CID 140854140) is 1-[6-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]-4-quinolin-8-yl-2-pyridinyl]-9H-carbazole.
What is the SMILES notation for 1-[6-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]-4-quinolin-8-yl-2-pyridinyl]-9H-carbazole?
The canonical SMILES for 1-[6-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]-4-quinolin-8-yl-2-pyridinyl]-9H-carbazole is c1ccc(-c2cc(-c3cc(-c4ccccc4)ccn3)cc(-c3cc(-c4cccc5cccnc45)cc(-c4cccc5c4[nH]c4ccccc45)n3)c2)cc1.
What is the InChIKey of 1-[6-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]-4-quinolin-8-yl-2-pyridinyl]-9H-carbazole?
The InChIKey is JAOJHQIGKPKAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N4/c1-3-12-32(13-4-1)35-23-25-50-45(29-35)38-26-36(33-14-5-2-6-15-33)27-39(28-38)46-30-37(40-19-9-16-34-17-11-24-51-48(34)40)31-47(52-46)43-21-10-20-42-41-18-7-8-22-44(41)53-49(42)43/h1-31,53H.
What are the key properties of 1-[6-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]-4-quinolin-8-yl-2-pyridinyl]-9H-carbazole?
1-[6-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]-4-quinolin-8-yl-2-pyridinyl]-9H-carbazole has a molecular weight of 676.82 g/mol, XLogP of 12.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]-4-quinolin-8-yl-2-pyridinyl]-9H-carbazole is sourced from PubChem (CID 140854140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).