9-[3-(2,6-diphenylpyrimidin-4-yl)-5-naphthalen-2-ylphenyl]carbazole

C44H29N3 — CID 169016925

IUPAC9-[3-(2,6-diphenylpyrimidin-4-yl)-5-naphthalen-2-ylphenyl]carbazole
SMILESc1ccc(-c2cc(-c3cc(-c4ccc5ccccc5c4)cc(-n4c5ccccc5c5ccccc54)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C44H29N3/c1-3-14-31(15-4-1)40-29-41(46-44(45-40)32-16-5-2-6-17-32)36-26-35(34-24-23-30-13-7-8-18-33(30)25-34)27-37(28-36)47-42-21-11-9-19-38(42)39-20-10-12-22-43(39)47/h1-29H
InChIKeyHDNSGBGOSVYISV-UHFFFAOYSA-N
MW599.74 g/mol
LogP11.39
Rot. Bonds5

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

9-[3-(2,6-diphenylpyrimidin-4-yl)-5-naphthalen-2-ylphenyl]carbazole (PubChem CID 169016925) has the molecular formula C44H29N3 and a molecular weight of 599.74 g/mol. Its IUPAC name is 9-[3-(2,6-diphenylpyrimidin-4-yl)-5-naphthalen-2-ylphenyl]carbazole.

Molecular Properties

Compound Name9-[3-(2,6-diphenylpyrimidin-4-yl)-5-naphthalen-2-ylphenyl]carbazole
PubChem CID169016925
Molecular FormulaC44H29N3
Molecular Weight599.74 g/mol
Exact Mass599.24
IUPAC Name9-[3-(2,6-diphenylpyrimidin-4-yl)-5-naphthalen-2-ylphenyl]carbazole
SMILESc1ccc(-c2cc(-c3cc(-c4ccc5ccccc5c4)cc(-n4c5ccccc5c5ccccc54)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C44H29N3/c1-3-14-31(15-4-1)40-29-41(46-44(45-40)32-16-5-2-6-17-32)36-26-35(34-24-23-30-13-7-8-18-33(30)25-34)27-37(28-36)47-42-21-11-9-19-38(42)39-20-10-12-22-43(39)47/h1-29H
InChIKeyHDNSGBGOSVYISV-UHFFFAOYSA-N
XLogP11.39
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.74
LogP ≤ 511.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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-[3-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-5-(3-naphthalen-2-ylcarbazol-9-yl)phenyl]-3-naphthalen-2-ylcarbazole
CID 58527038
9-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole
CID 139500404
9-[3-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]-5-phenylphenyl]-3-carbazol-9-ylcarbazole;3-carbazol-9-yl-9-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]carbazole;3-carbazol-9-yl-9-[3-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)-5-phenylphenyl]carbazole;3-carbazol-9-yl-9-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 159279604
9-[4-[6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-2-yl]phenyl]carbazole
CID 58971465
9-[3-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]carbazole
CID 121258073
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-[3-(2,6-diphenylpyrimidin-4-yl)-5-(4-phenylphenyl)phenyl]phenyl]phenyl]carbazole
CID 58943231
2-phenyl-9-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-5-triphenylen-2-ylphenyl]carbazole
CID 139500401
9-[4-[3-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]phenyl]phenyl]carbazole
CID 58943227
2-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 71286955

Frequently Asked Questions

What is the IUPAC name of 9-[3-(2,6-diphenylpyrimidin-4-yl)-5-naphthalen-2-ylphenyl]carbazole?
The IUPAC name of 9-[3-(2,6-diphenylpyrimidin-4-yl)-5-naphthalen-2-ylphenyl]carbazole (CID 169016925) is 9-[3-(2,6-diphenylpyrimidin-4-yl)-5-naphthalen-2-ylphenyl]carbazole.
What is the SMILES notation for 9-[3-(2,6-diphenylpyrimidin-4-yl)-5-naphthalen-2-ylphenyl]carbazole?
The canonical SMILES for 9-[3-(2,6-diphenylpyrimidin-4-yl)-5-naphthalen-2-ylphenyl]carbazole is c1ccc(-c2cc(-c3cc(-c4ccc5ccccc5c4)cc(-n4c5ccccc5c5ccccc54)c3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 9-[3-(2,6-diphenylpyrimidin-4-yl)-5-naphthalen-2-ylphenyl]carbazole?
The InChIKey is HDNSGBGOSVYISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N3/c1-3-14-31(15-4-1)40-29-41(46-44(45-40)32-16-5-2-6-17-32)36-26-35(34-24-23-30-13-7-8-18-33(30)25-34)27-37(28-36)47-42-21-11-9-19-38(42)39-20-10-12-22-43(39)47/h1-29H.
What are the key properties of 9-[3-(2,6-diphenylpyrimidin-4-yl)-5-naphthalen-2-ylphenyl]carbazole?
9-[3-(2,6-diphenylpyrimidin-4-yl)-5-naphthalen-2-ylphenyl]carbazole has a molecular weight of 599.74 g/mol, XLogP of 11.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(2,6-diphenylpyrimidin-4-yl)-5-naphthalen-2-ylphenyl]carbazole is sourced from PubChem (CID 169016925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).