2-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-9,9-dimethylindeno[2,1-d]pyrimidine

C39H28N4 — CID 129264966

IUPAC2-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-9,9-dimethylindeno[2,1-d]pyrimidine
SMILESCC1(C)c2ccccc2-c2cnc(-c3ccc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c4ccccc34)nc21
InChIInChI=1S/C39H28N4/c1-39(2)33-20-12-11-19-29(33)32-24-40-37(43-36(32)39)30-21-22-31(28-18-10-9-17-27(28)30)38-41-34(25-13-5-3-6-14-25)23-35(42-38)26-15-7-4-8-16-26/h3-24H,1-2H3
InChIKeyJYLZJAQNCLSHDN-UHFFFAOYSA-N
MW552.68 g/mol
LogP9.39
Rot. Bonds4

About 2-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-9,9-dimethylindeno[2,1-d]pyrimidine

2-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-9,9-dimethylindeno[2,1-d]pyrimidine (PubChem CID 129264966) has the molecular formula C39H28N4 and a molecular weight of 552.68 g/mol. Its IUPAC name is 2-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-9,9-dimethylindeno[2,1-d]pyrimidine.

Molecular Properties

Compound Name2-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-9,9-dimethylindeno[2,1-d]pyrimidine
PubChem CID129264966
Molecular FormulaC39H28N4
Molecular Weight552.68 g/mol
Exact Mass552.23
IUPAC Name2-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-9,9-dimethylindeno[2,1-d]pyrimidine
SMILESCC1(C)c2ccccc2-c2cnc(-c3ccc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c4ccccc34)nc21
InChIInChI=1S/C39H28N4/c1-39(2)33-20-12-11-19-29(33)32-24-40-37(43-36(32)39)30-21-22-31(28-18-10-9-17-27(28)30)38-41-34(25-13-5-3-6-14-25)23-35(42-38)26-15-7-4-8-16-26/h3-24H,1-2H3
InChIKeyJYLZJAQNCLSHDN-UHFFFAOYSA-N
XLogP9.39
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.68
LogP ≤ 59.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9,9-dimethylindeno[2,1-d]pyrimidine
CID 129264972
2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9,9-dimethylindeno[2,1-d]pyrimidine
CID 129264945
2-[7-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]-9,9-dimethylindeno[2,1-d]pyrimidine
CID 129265022
2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-dimethylindeno[2,1-d]pyrimidine
CID 129265024
2-[10-[4-(4,6-dipyridin-4-yl-2-pyridinyl)phenyl]anthracen-9-yl]-9,9-dimethylindeno[2,1-d]pyrimidine
CID 129264991
2-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidine
CID 168779140
4-(9,9-dimethylfluoren-2-yl)-2,6-diphenylpyrimidine
CID 139366503
4-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168778832
2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine
CID 121450738
2-[4-(11,11-dimethylbenzo[a]fluoren-8-yl)naphthalen-1-yl]-4-(9,9-dimethylfluoren-1-yl)-6-phenylpyrimidine
CID 168777752
2-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine
CID 118427220
2'-(4-phenylnaphthalen-1-yl)-2-pyridin-2-ylspiro[fluorene-9,9'-indeno[2,1-d]pyrimidine]
CID 129264496

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-9,9-dimethylindeno[2,1-d]pyrimidine?
The IUPAC name of 2-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-9,9-dimethylindeno[2,1-d]pyrimidine (CID 129264966) is 2-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-9,9-dimethylindeno[2,1-d]pyrimidine.
What is the SMILES notation for 2-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-9,9-dimethylindeno[2,1-d]pyrimidine?
The canonical SMILES for 2-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-9,9-dimethylindeno[2,1-d]pyrimidine is CC1(C)c2ccccc2-c2cnc(-c3ccc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c4ccccc34)nc21.
What is the InChIKey of 2-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-9,9-dimethylindeno[2,1-d]pyrimidine?
The InChIKey is JYLZJAQNCLSHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H28N4/c1-39(2)33-20-12-11-19-29(33)32-24-40-37(43-36(32)39)30-21-22-31(28-18-10-9-17-27(28)30)38-41-34(25-13-5-3-6-14-25)23-35(42-38)26-15-7-4-8-16-26/h3-24H,1-2H3.
What are the key properties of 2-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-9,9-dimethylindeno[2,1-d]pyrimidine?
2-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-9,9-dimethylindeno[2,1-d]pyrimidine has a molecular weight of 552.68 g/mol, XLogP of 9.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-9,9-dimethylindeno[2,1-d]pyrimidine is sourced from PubChem (CID 129264966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).