2-(4-ethenylphenyl)-4,5,5-triphenylindeno[1,2-d]pyrimidine

C37H26N2 — CID 129084550

IUPAC2-(4-ethenylphenyl)-4,5,5-triphenylindeno[1,2-d]pyrimidine
SMILESC=Cc1ccc(-c2nc(-c3ccccc3)c3c(n2)-c2ccccc2C3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C37H26N2/c1-2-26-22-24-28(25-23-26)36-38-34(27-14-6-3-7-15-27)33-35(39-36)31-20-12-13-21-32(31)37(33,29-16-8-4-9-17-29)30-18-10-5-11-19-30/h2-25H,1H2
InChIKeyAWLACVIVOWYELZ-UHFFFAOYSA-N
MW498.63 g/mol
LogP8.82
Rot. Bonds5

About 2-(4-ethenylphenyl)-4,5,5-triphenylindeno[1,2-d]pyrimidine

2-(4-ethenylphenyl)-4,5,5-triphenylindeno[1,2-d]pyrimidine (PubChem CID 129084550) has the molecular formula C37H26N2 and a molecular weight of 498.63 g/mol. Its IUPAC name is 2-(4-ethenylphenyl)-4,5,5-triphenylindeno[1,2-d]pyrimidine.

Molecular Properties

Compound Name2-(4-ethenylphenyl)-4,5,5-triphenylindeno[1,2-d]pyrimidine
PubChem CID129084550
Molecular FormulaC37H26N2
Molecular Weight498.63 g/mol
Exact Mass498.21
IUPAC Name2-(4-ethenylphenyl)-4,5,5-triphenylindeno[1,2-d]pyrimidine
SMILESC=Cc1ccc(-c2nc(-c3ccccc3)c3c(n2)-c2ccccc2C3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C37H26N2/c1-2-26-22-24-28(25-23-26)36-38-34(27-14-6-3-7-15-27)33-35(39-36)31-20-12-13-21-32(31)37(33,29-16-8-4-9-17-29)30-18-10-5-11-19-30/h2-25H,1H2
InChIKeyAWLACVIVOWYELZ-UHFFFAOYSA-N
XLogP8.82
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.63
LogP ≤ 58.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2'-(4-bromophenyl)-4'-phenylspiro[fluorene-9,5'-indeno[1,2-d]pyrimidine]
CID 122551801
2-phenyl-4-[4-(9-phenylfluoren-9-yl)phenyl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 139521231
2-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 139521317
4',10-diphenyl-2'-(4-phenylphenyl)spiro[acridine-9,5'-indeno[1,2-d]pyrimidine]
CID 118372549
2-(9,9-diphenylfluoren-2-yl)-4-[4-(2,6-diphenyl-3-pyridinyl)phenyl]-6-phenyl-1,3,5-triazine
CID 156528933
4-[3-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]-2-(4-phenylphenyl)quinazoline
CID 130375125
4'-(4-carbazol-9-ylphenyl)-2'-phenylspiro[fluorene-9,5'-indeno[1,2-d]pyrimidine]
CID 118527794
2-[3-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)quinazoline
CID 130375099
2-(9,9-diphenylfluoren-1-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 122416348
6-(11,11-diphenylbenzo[b]fluoren-6-yl)-2,4-diphenylquinazoline
CID 154589173
2-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 130375020
2-[9,9-diphenyl-6-(9-phenylfluoren-9-yl)fluoren-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 162487362

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethenylphenyl)-4,5,5-triphenylindeno[1,2-d]pyrimidine?
The IUPAC name of 2-(4-ethenylphenyl)-4,5,5-triphenylindeno[1,2-d]pyrimidine (CID 129084550) is 2-(4-ethenylphenyl)-4,5,5-triphenylindeno[1,2-d]pyrimidine.
What is the SMILES notation for 2-(4-ethenylphenyl)-4,5,5-triphenylindeno[1,2-d]pyrimidine?
The canonical SMILES for 2-(4-ethenylphenyl)-4,5,5-triphenylindeno[1,2-d]pyrimidine is C=Cc1ccc(-c2nc(-c3ccccc3)c3c(n2)-c2ccccc2C3(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-(4-ethenylphenyl)-4,5,5-triphenylindeno[1,2-d]pyrimidine?
The InChIKey is AWLACVIVOWYELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26N2/c1-2-26-22-24-28(25-23-26)36-38-34(27-14-6-3-7-15-27)33-35(39-36)31-20-12-13-21-32(31)37(33,29-16-8-4-9-17-29)30-18-10-5-11-19-30/h2-25H,1H2.
What are the key properties of 2-(4-ethenylphenyl)-4,5,5-triphenylindeno[1,2-d]pyrimidine?
2-(4-ethenylphenyl)-4,5,5-triphenylindeno[1,2-d]pyrimidine has a molecular weight of 498.63 g/mol, XLogP of 8.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethenylphenyl)-4,5,5-triphenylindeno[1,2-d]pyrimidine is sourced from PubChem (CID 129084550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).