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

C35H26N4 — CID 129264972

IUPAC2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9,9-dimethylindeno[2,1-d]pyrimidine
SMILESCC1(C)c2ccccc2-c2cnc(-c3ccc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc3)nc21
InChIInChI=1S/C35H26N4/c1-35(2)29-16-10-9-15-27(29)28-22-36-33(39-32(28)35)25-17-19-26(20-18-25)34-37-30(23-11-5-3-6-12-23)21-31(38-34)24-13-7-4-8-14-24/h3-22H,1-2H3
InChIKeyKMCSLXHUPKUFCV-UHFFFAOYSA-N
MW502.62 g/mol
LogP8.24
Rot. Bonds4

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

2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9,9-dimethylindeno[2,1-d]pyrimidine (PubChem CID 129264972) has the molecular formula C35H26N4 and a molecular weight of 502.62 g/mol. Its IUPAC name is 2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9,9-dimethylindeno[2,1-d]pyrimidine.

Molecular Properties

Compound Name2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9,9-dimethylindeno[2,1-d]pyrimidine
PubChem CID129264972
Molecular FormulaC35H26N4
Molecular Weight502.62 g/mol
Exact Mass502.22
IUPAC Name2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9,9-dimethylindeno[2,1-d]pyrimidine
SMILESCC1(C)c2ccccc2-c2cnc(-c3ccc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc3)nc21
InChIInChI=1S/C35H26N4/c1-35(2)29-16-10-9-15-27(29)28-22-36-33(39-32(28)35)25-17-19-26(20-18-25)34-37-30(23-11-5-3-6-12-23)21-31(38-34)24-13-7-4-8-14-24/h3-22H,1-2H3
InChIKeyKMCSLXHUPKUFCV-UHFFFAOYSA-N
XLogP8.24
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.62
LogP ≤ 58.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-9,9-dimethylindeno[2,1-d]pyrimidine
CID 129264966
2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-dimethylindeno[2,1-d]pyrimidine
CID 129265024
4-(9,9-dimethylfluoren-2-yl)-2,6-diphenylpyrimidine
CID 139366503
2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine
CID 121450738
2-[4-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 121450705
4-[4-[3-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 167344597
2-[10-[4-(4,6-dipyridin-4-yl-2-pyridinyl)phenyl]anthracen-9-yl]-9,9-dimethylindeno[2,1-d]pyrimidine
CID 129264991
2-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 121450777
4-[4-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-6-(3,5-diphenylphenyl)-2-phenylpyrimidine
CID 167344610
4-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168778832

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9,9-dimethylindeno[2,1-d]pyrimidine?
The IUPAC name of 2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9,9-dimethylindeno[2,1-d]pyrimidine (CID 129264972) is 2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9,9-dimethylindeno[2,1-d]pyrimidine.
What is the SMILES notation for 2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9,9-dimethylindeno[2,1-d]pyrimidine?
The canonical SMILES for 2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9,9-dimethylindeno[2,1-d]pyrimidine is CC1(C)c2ccccc2-c2cnc(-c3ccc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc3)nc21.
What is the InChIKey of 2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9,9-dimethylindeno[2,1-d]pyrimidine?
The InChIKey is KMCSLXHUPKUFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H26N4/c1-35(2)29-16-10-9-15-27(29)28-22-36-33(39-32(28)35)25-17-19-26(20-18-25)34-37-30(23-11-5-3-6-12-23)21-31(38-34)24-13-7-4-8-14-24/h3-22H,1-2H3.
What are the key properties of 2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9,9-dimethylindeno[2,1-d]pyrimidine?
2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9,9-dimethylindeno[2,1-d]pyrimidine has a molecular weight of 502.62 g/mol, XLogP of 8.24, 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)phenyl]-9,9-dimethylindeno[2,1-d]pyrimidine is sourced from PubChem (CID 129264972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).