9-[4-[6-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)naphthalen-2-yl]phenyl]carbazole

C52H33N3 — CID 58971555

IUPAC9-[4-[6-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)naphthalen-2-yl]phenyl]carbazole
SMILESc1ccc2c(-c3cc(-c4cccc5ccccc45)nc(-c4ccc5cc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)ccc5c4)n3)cccc2c1
InChIInChI=1S/C52H33N3/c1-3-15-42-35(11-1)13-9-19-44(42)48-33-49(45-20-10-14-36-12-2-4-16-43(36)45)54-52(53-48)40-26-25-38-31-37(23-24-39(38)32-40)34-27-29-41(30-28-34)55-50-21-7-5-17-46(50)47-18-6-8-22-51(47)55/h1-33H
InChIKeyUPLQYGUNQJCZGG-UHFFFAOYSA-N
MW699.86 g/mol
LogP13.70
Rot. Bonds5

About 9-[4-[6-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)naphthalen-2-yl]phenyl]carbazole

9-[4-[6-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)naphthalen-2-yl]phenyl]carbazole (PubChem CID 58971555) has the molecular formula C52H33N3 and a molecular weight of 699.86 g/mol. Its IUPAC name is 9-[4-[6-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)naphthalen-2-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[6-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)naphthalen-2-yl]phenyl]carbazole
PubChem CID58971555
Molecular FormulaC52H33N3
Molecular Weight699.86 g/mol
Exact Mass699.27
IUPAC Name9-[4-[6-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)naphthalen-2-yl]phenyl]carbazole
SMILESc1ccc2c(-c3cc(-c4cccc5ccccc45)nc(-c4ccc5cc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)ccc5c4)n3)cccc2c1
InChIInChI=1S/C52H33N3/c1-3-15-42-35(11-1)13-9-19-44(42)48-33-49(45-20-10-14-36-12-2-4-16-43(36)45)54-52(53-48)40-26-25-38-31-37(23-24-39(38)32-40)34-27-29-41(30-28-34)55-50-21-7-5-17-46(50)47-18-6-8-22-51(47)55/h1-33H
InChIKeyUPLQYGUNQJCZGG-UHFFFAOYSA-N
XLogP13.70
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.86
LogP ≤ 513.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[4-[4-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]phenyl]carbazole;9-[4-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]phenyl]carbazole;9-[4-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]phenyl]carbazole;9-[4-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]carbazole;9-[4-[4-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]phenyl]carbazole
CID 157066444
9-[4-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]phenyl]carbazole;9-[4-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]phenyl]carbazole;9-[4-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]phenyl]carbazole;9-[4-[4-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]phenyl]phenyl]carbazole;9-[4-[4-(4-naphthalen-1-yl-6-naphthalen-2-ylpyrimidin-2-yl)phenyl]phenyl]carbazole
CID 158118562
9-[4-[3-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]phenyl]phenyl]carbazole
CID 58943227
9-(3-carbazol-9-ylphenyl)-2-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]carbazole
CID 90209075
5-[7-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)naphthalen-2-yl]benzo[b]carbazole;5-[7-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)naphthalen-2-yl]benzo[b]carbazole;5-[7-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)naphthalen-2-yl]benzo[b]carbazole
CID 159513122
3-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 159623630
12-[4-[3-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]phenyl]-11-phenylindolo[2,3-a]carbazole
CID 155240392
3-[9-(4-naphthalen-1-yl-6-naphthalen-2-ylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 121241512
9-[4-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-3,6-diphenylcarbazole
CID 58971485
9-[4-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]-3-(4-naphthalen-1-ylphenyl)carbazole
CID 177074752
9-(4-naphthalen-1-ylphenyl)-3-(4-naphthalen-2-ylphenyl)carbazole
CID 177074694
9-[4-[4-(4-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 146622020

Frequently Asked Questions

What is the IUPAC name of 9-[4-[6-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)naphthalen-2-yl]phenyl]carbazole?
The IUPAC name of 9-[4-[6-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)naphthalen-2-yl]phenyl]carbazole (CID 58971555) is 9-[4-[6-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)naphthalen-2-yl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[6-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)naphthalen-2-yl]phenyl]carbazole?
The canonical SMILES for 9-[4-[6-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)naphthalen-2-yl]phenyl]carbazole is c1ccc2c(-c3cc(-c4cccc5ccccc45)nc(-c4ccc5cc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)ccc5c4)n3)cccc2c1.
What is the InChIKey of 9-[4-[6-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)naphthalen-2-yl]phenyl]carbazole?
The InChIKey is UPLQYGUNQJCZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N3/c1-3-15-42-35(11-1)13-9-19-44(42)48-33-49(45-20-10-14-36-12-2-4-16-43(36)45)54-52(53-48)40-26-25-38-31-37(23-24-39(38)32-40)34-27-29-41(30-28-34)55-50-21-7-5-17-46(50)47-18-6-8-22-51(47)55/h1-33H.
What are the key properties of 9-[4-[6-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)naphthalen-2-yl]phenyl]carbazole?
9-[4-[6-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)naphthalen-2-yl]phenyl]carbazole has a molecular weight of 699.86 g/mol, XLogP of 13.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[6-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)naphthalen-2-yl]phenyl]carbazole is sourced from PubChem (CID 58971555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).