2-[7-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]-9,9-dimethylindeno[2,1-d]pyrimidine

C39H28N4 — CID 129265022

IUPAC2-[7-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]-9,9-dimethylindeno[2,1-d]pyrimidine
SMILESCC1(C)c2ccccc2-c2cnc(-c3ccc4ccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)cc4c3)nc21
InChIInChI=1S/C39H28N4/c1-39(2)33-16-10-9-15-31(33)32-24-40-37(43-36(32)39)28-19-17-25-18-20-29(22-30(25)21-28)38-41-34(26-11-5-3-6-12-26)23-35(42-38)27-13-7-4-8-14-27/h3-24H,1-2H3
InChIKeyALDDDZIJYLMFRN-UHFFFAOYSA-N
MW552.68 g/mol
LogP9.39
Rot. Bonds4

About 2-[7-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]-9,9-dimethylindeno[2,1-d]pyrimidine

2-[7-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]-9,9-dimethylindeno[2,1-d]pyrimidine (PubChem CID 129265022) has the molecular formula C39H28N4 and a molecular weight of 552.68 g/mol. Its IUPAC name is 2-[7-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]-9,9-dimethylindeno[2,1-d]pyrimidine.

Molecular Properties

Compound Name2-[7-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]-9,9-dimethylindeno[2,1-d]pyrimidine
PubChem CID129265022
Molecular FormulaC39H28N4
Molecular Weight552.68 g/mol
Exact Mass552.23
IUPAC Name2-[7-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]-9,9-dimethylindeno[2,1-d]pyrimidine
SMILESCC1(C)c2ccccc2-c2cnc(-c3ccc4ccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)cc4c3)nc21
InChIInChI=1S/C39H28N4/c1-39(2)33-16-10-9-15-31(33)32-24-40-37(43-36(32)39)28-19-17-25-18-20-29(22-30(25)21-28)38-41-34(26-11-5-3-6-12-26)23-35(42-38)27-13-7-4-8-14-27/h3-24H,1-2H3
InChIKeyALDDDZIJYLMFRN-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

Analyze 2-[7-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]-9,9-dimethylindeno[2,1-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-dimethylindeno[2,1-d]pyrimidine
CID 129265024
2-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-9,9-dimethylindeno[2,1-d]pyrimidine
CID 129264966
2-[10-[4-(4,6-diphenyl-2-pyridinyl)phenyl]anthracen-9-yl]-9,9-diphenylindeno[2,1-d]pyrimidine;2'-[10-[4-(4,6-diphenyl-2-pyridinyl)phenyl]anthracen-9-yl]spiro[fluorene-9,9'-indeno[2,1-d]pyrimidine];2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9,9-dimethylindeno[2,1-d]pyrimidine;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9,9-dimethylindeno[2,1-d]pyrimidine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylindeno[2,1-d]pyrimidine
CID 158355693
2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9,9-diphenylindeno[2,1-d]pyrimidine
CID 129265006
4-(9,9-dimethylfluoren-2-yl)-2,6-diphenylpyrimidine
CID 139366503
2-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 121450777
2-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-4,6-diphenylpyrimidine
CID 134271846
2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine
CID 121450738
2-(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-6-(7-naphthalen-2-ylnaphthalen-2-yl)-1,3,5-triazine
CID 176588450
2-[3-[4-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 167344623

Frequently Asked Questions

What is the IUPAC name of 2-[7-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]-9,9-dimethylindeno[2,1-d]pyrimidine?
The IUPAC name of 2-[7-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]-9,9-dimethylindeno[2,1-d]pyrimidine (CID 129265022) is 2-[7-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]-9,9-dimethylindeno[2,1-d]pyrimidine.
What is the SMILES notation for 2-[7-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]-9,9-dimethylindeno[2,1-d]pyrimidine?
The canonical SMILES for 2-[7-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]-9,9-dimethylindeno[2,1-d]pyrimidine is CC1(C)c2ccccc2-c2cnc(-c3ccc4ccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)cc4c3)nc21.
What is the InChIKey of 2-[7-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]-9,9-dimethylindeno[2,1-d]pyrimidine?
The InChIKey is ALDDDZIJYLMFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H28N4/c1-39(2)33-16-10-9-15-31(33)32-24-40-37(43-36(32)39)28-19-17-25-18-20-29(22-30(25)21-28)38-41-34(26-11-5-3-6-12-26)23-35(42-38)27-13-7-4-8-14-27/h3-24H,1-2H3.
What are the key properties of 2-[7-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]-9,9-dimethylindeno[2,1-d]pyrimidine?
2-[7-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-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-[7-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]-9,9-dimethylindeno[2,1-d]pyrimidine is sourced from PubChem (CID 129265022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).