2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-dimethylindeno[2,1-d]pyrimidine

C40H29N5 — CID 129265024

IUPAC2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-dimethylindeno[2,1-d]pyrimidine
SMILESCC1(C)c2ccccc2-c2cnc(-c3ccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)cc3)nc21
InChIInChI=1S/C40H29N5/c1-40(2)34-19-10-9-18-32(34)33-25-41-36(42-35(33)40)29-22-20-26(21-23-29)30-16-11-17-31(24-30)39-44-37(27-12-5-3-6-13-27)43-38(45-39)28-14-7-4-8-15-28/h3-25H,1-2H3
InChIKeyRUHAZHJGHYXETL-UHFFFAOYSA-N
MW579.71 g/mol
LogP9.30
Rot. Bonds5

About 2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-dimethylindeno[2,1-d]pyrimidine

2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-dimethylindeno[2,1-d]pyrimidine (PubChem CID 129265024) has the molecular formula C40H29N5 and a molecular weight of 579.71 g/mol. Its IUPAC name is 2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-dimethylindeno[2,1-d]pyrimidine.

Molecular Properties

Compound Name2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-dimethylindeno[2,1-d]pyrimidine
PubChem CID129265024
Molecular FormulaC40H29N5
Molecular Weight579.71 g/mol
Exact Mass579.24
IUPAC Name2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-dimethylindeno[2,1-d]pyrimidine
SMILESCC1(C)c2ccccc2-c2cnc(-c3ccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)cc3)nc21
InChIInChI=1S/C40H29N5/c1-40(2)34-19-10-9-18-32(34)33-25-41-36(42-35(33)40)29-22-20-26(21-23-29)30-16-11-17-31(24-30)39-44-37(27-12-5-3-6-13-27)43-38(45-39)28-14-7-4-8-15-28/h3-25H,1-2H3
InChIKeyRUHAZHJGHYXETL-UHFFFAOYSA-N
XLogP9.30
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.71
LogP ≤ 59.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9,9-dimethylindeno[2,1-d]pyrimidine
CID 129264945
2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9,9-dimethylindeno[2,1-d]pyrimidine
CID 129264972
2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-diphenylindeno[2,1-d]pyrimidine
CID 129264971
2-[7-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]-9,9-dimethylindeno[2,1-d]pyrimidine
CID 129265022
2,4-bis[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 118530501
2-[3-(9,9-dimethylfluoren-1-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 129150867
2,4-bis[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2,4-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine;2,4-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2,4-bis[3-(9,9-dimethylfluoren-3-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 158233216
bis(2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine);2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 161026217
2-(9,9-dimethylfluoren-2-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 58233424
2,4-bis(9,9-dimethylfluoren-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 59188587
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 162196088
2-(9,9-dimethylfluoren-4-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 146632838

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-dimethylindeno[2,1-d]pyrimidine?
The IUPAC name of 2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-dimethylindeno[2,1-d]pyrimidine (CID 129265024) is 2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-dimethylindeno[2,1-d]pyrimidine.
What is the SMILES notation for 2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-dimethylindeno[2,1-d]pyrimidine?
The canonical SMILES for 2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-dimethylindeno[2,1-d]pyrimidine is CC1(C)c2ccccc2-c2cnc(-c3ccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)cc3)nc21.
What is the InChIKey of 2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-dimethylindeno[2,1-d]pyrimidine?
The InChIKey is RUHAZHJGHYXETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H29N5/c1-40(2)34-19-10-9-18-32(34)33-25-41-36(42-35(33)40)29-22-20-26(21-23-29)30-16-11-17-31(24-30)39-44-37(27-12-5-3-6-13-27)43-38(45-39)28-14-7-4-8-15-28/h3-25H,1-2H3.
What are the key properties of 2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-dimethylindeno[2,1-d]pyrimidine?
2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-dimethylindeno[2,1-d]pyrimidine has a molecular weight of 579.71 g/mol, XLogP of 9.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-dimethylindeno[2,1-d]pyrimidine is sourced from PubChem (CID 129265024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).