9-[4-[3-(4,6-diphenylpyrimidin-2-yl)-5-phenylphenyl]phenyl]carbazole

C46H31N3 — CID 59431404

IUPAC9-[4-[3-(4,6-diphenylpyrimidin-2-yl)-5-phenylphenyl]phenyl]carbazole
SMILESc1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C46H31N3/c1-4-14-32(15-5-1)36-28-37(33-24-26-39(27-25-33)49-44-22-12-10-20-40(44)41-21-11-13-23-45(41)49)30-38(29-36)46-47-42(34-16-6-2-7-17-34)31-43(48-46)35-18-8-3-9-19-35/h1-31H
InChIKeyWYOLZKANSIYGRO-UHFFFAOYSA-N
MW625.78 g/mol
LogP11.91
Rot. Bonds6

About 9-[4-[3-(4,6-diphenylpyrimidin-2-yl)-5-phenylphenyl]phenyl]carbazole

9-[4-[3-(4,6-diphenylpyrimidin-2-yl)-5-phenylphenyl]phenyl]carbazole (PubChem CID 59431404) has the molecular formula C46H31N3 and a molecular weight of 625.78 g/mol. Its IUPAC name is 9-[4-[3-(4,6-diphenylpyrimidin-2-yl)-5-phenylphenyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[3-(4,6-diphenylpyrimidin-2-yl)-5-phenylphenyl]phenyl]carbazole
PubChem CID59431404
Molecular FormulaC46H31N3
Molecular Weight625.78 g/mol
Exact Mass625.25
IUPAC Name9-[4-[3-(4,6-diphenylpyrimidin-2-yl)-5-phenylphenyl]phenyl]carbazole
SMILESc1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C46H31N3/c1-4-14-32(15-5-1)36-28-37(33-24-26-39(27-25-33)49-44-22-12-10-20-40(44)41-21-11-13-23-45(41)49)30-38(29-36)46-47-42(34-16-6-2-7-17-34)31-43(48-46)35-18-8-3-9-19-35/h1-31H
InChIKeyWYOLZKANSIYGRO-UHFFFAOYSA-N
XLogP11.91
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.78
LogP ≤ 511.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[4-[4-[3-(2,6-diphenylpyrimidin-4-yl)-5-(4-phenylphenyl)phenyl]phenyl]phenyl]carbazole
CID 58943231
9-[4-[4-[2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenyl-4-pyridinyl]phenyl]phenyl]carbazole;9-[4-[4-[6-[4-(4-carbazol-9-ylphenyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]phenyl]carbazole;9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 158785186
9-[4-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]carbazole
CID 130359579
9-[4-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-phenylphenyl]phenyl]carbazole
CID 58943692
9-[3-carbazol-9-yl-5-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]carbazole;9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole
CID 165000137
9-[3-carbazol-9-yl-5-[3,5-di(carbazol-9-yl)phenyl]phenyl]carbazole;9-[4-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]-5-phenylphenyl]phenyl]carbazole;9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole;9-[4-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]carbazole
CID 161004929
9-[4-[4-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 163590019
9-[4-[3-(3,5-diphenylphenyl)-5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]phenyl]carbazole;9-[3-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]phenyl]carbazole;9-[4-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]phenyl]carbazole;9-[4-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-5-phenylphenyl]phenyl]carbazole;9-[4-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-phenylphenyl]phenyl]carbazole;9-[4-[4-[3-(4,6-diphenylpyrimidin-2-yl)-5-phenylphenyl]phenyl]phenyl]carbazole;9-[4-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-5-(4-phenylphenyl)phenyl]phenyl]carbazole
CID 158622941
9-[3-phenyl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 167223796
9-[3-[4-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]phenyl]-5-phenylphenyl]carbazole
CID 58943730
9-[4-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]phenyl]carbazole
CID 58943390
9-[4-[3-[3-[3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 58943594

Frequently Asked Questions

What is the IUPAC name of 9-[4-[3-(4,6-diphenylpyrimidin-2-yl)-5-phenylphenyl]phenyl]carbazole?
The IUPAC name of 9-[4-[3-(4,6-diphenylpyrimidin-2-yl)-5-phenylphenyl]phenyl]carbazole (CID 59431404) is 9-[4-[3-(4,6-diphenylpyrimidin-2-yl)-5-phenylphenyl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[3-(4,6-diphenylpyrimidin-2-yl)-5-phenylphenyl]phenyl]carbazole?
The canonical SMILES for 9-[4-[3-(4,6-diphenylpyrimidin-2-yl)-5-phenylphenyl]phenyl]carbazole is c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)c2)cc1.
What is the InChIKey of 9-[4-[3-(4,6-diphenylpyrimidin-2-yl)-5-phenylphenyl]phenyl]carbazole?
The InChIKey is WYOLZKANSIYGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31N3/c1-4-14-32(15-5-1)36-28-37(33-24-26-39(27-25-33)49-44-22-12-10-20-40(44)41-21-11-13-23-45(41)49)30-38(29-36)46-47-42(34-16-6-2-7-17-34)31-43(48-46)35-18-8-3-9-19-35/h1-31H.
What are the key properties of 9-[4-[3-(4,6-diphenylpyrimidin-2-yl)-5-phenylphenyl]phenyl]carbazole?
9-[4-[3-(4,6-diphenylpyrimidin-2-yl)-5-phenylphenyl]phenyl]carbazole has a molecular weight of 625.78 g/mol, XLogP of 11.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[3-(4,6-diphenylpyrimidin-2-yl)-5-phenylphenyl]phenyl]carbazole is sourced from PubChem (CID 59431404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).