2-cyclohexa-2,4-dien-1-yl-5,5-dimethyl-7-(4-naphthalen-2-ylphenyl)-4-phenylindeno[1,2-d]pyrimidine

C41H32N2 — CID 144636094

IUPAC2-cyclohexa-2,4-dien-1-yl-5,5-dimethyl-7-(4-naphthalen-2-ylphenyl)-4-phenylindeno[1,2-d]pyrimidine
SMILESCC1(C)c2cc(-c3ccc(-c4ccc5ccccc5c4)cc3)ccc2-c2nc(C3C=CC=CC3)nc(-c3ccccc3)c21
InChIInChI=1S/C41H32N2/c1-41(2)36-26-34(29-19-17-28(18-20-29)33-22-21-27-11-9-10-16-32(27)25-33)23-24-35(36)39-37(41)38(30-12-5-3-6-13-30)42-40(43-39)31-14-7-4-8-15-31/h3-14,16-26,31H,15H2,1-2H3
InChIKeyVFNMZJOAQVGYJN-UHFFFAOYSA-N
MW552.72 g/mol
LogP10.54
Rot. Bonds4

About 2-cyclohexa-2,4-dien-1-yl-5,5-dimethyl-7-(4-naphthalen-2-ylphenyl)-4-phenylindeno[1,2-d]pyrimidine

2-cyclohexa-2,4-dien-1-yl-5,5-dimethyl-7-(4-naphthalen-2-ylphenyl)-4-phenylindeno[1,2-d]pyrimidine (PubChem CID 144636094) has the molecular formula C41H32N2 and a molecular weight of 552.72 g/mol. Its IUPAC name is 2-cyclohexa-2,4-dien-1-yl-5,5-dimethyl-7-(4-naphthalen-2-ylphenyl)-4-phenylindeno[1,2-d]pyrimidine.

Molecular Properties

Compound Name2-cyclohexa-2,4-dien-1-yl-5,5-dimethyl-7-(4-naphthalen-2-ylphenyl)-4-phenylindeno[1,2-d]pyrimidine
PubChem CID144636094
Molecular FormulaC41H32N2
Molecular Weight552.72 g/mol
Exact Mass552.26
IUPAC Name2-cyclohexa-2,4-dien-1-yl-5,5-dimethyl-7-(4-naphthalen-2-ylphenyl)-4-phenylindeno[1,2-d]pyrimidine
SMILESCC1(C)c2cc(-c3ccc(-c4ccc5ccccc5c4)cc3)ccc2-c2nc(C3C=CC=CC3)nc(-c3ccccc3)c21
InChIInChI=1S/C41H32N2/c1-41(2)36-26-34(29-19-17-28(18-20-29)33-22-21-27-11-9-10-16-32(27)25-33)23-24-35(36)39-37(41)38(30-12-5-3-6-13-30)42-40(43-39)31-14-7-4-8-15-31/h3-14,16-26,31H,15H2,1-2H3
InChIKeyVFNMZJOAQVGYJN-UHFFFAOYSA-N
XLogP10.54
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.72
LogP ≤ 510.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9,9-dimethyl-2-naphthalen-2-yl-7-[3-(4-phenylphenyl)phenyl]fluorene
CID 59217136
2-[9,9-dimethyl-7-(6-naphthalen-2-ylnaphthalen-2-yl)fluoren-2-yl]-9,9-dimethyl-7-(3-phenylphenyl)fluorene
CID 123207992
2-[9,9-dimethyl-7-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]fluoren-2-yl]-9,9-dimethyl-7-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]fluorene
CID 123193635
4-(4-bromonaphthalen-1-yl)-2-cyclohexa-2,4-dien-1-yl-6-(4-phenylphenyl)pyrimidine
CID 167257422
8,8-dimethyl-6-naphthalen-2-yl-4,11-diphenyl-3,5,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
CID 162778183
2-chloro-4-cyclohexa-2,4-dien-1-yl-6-naphthalen-2-yl-1,3,5-triazine
CID 170046238
4-cyclohexa-2,4-dien-1-yl-2-phenyl-6-(2-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-2-ylphenyl)pyridine
CID 153357773
11,11,12,12-tetramethyl-2-[3-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]indeno[2,1-a]fluorene
CID 140710807
2-(9,9-dimethylfluoren-2-yl)-7-[7-[7-[7-[9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 123392580
2-(9,9-dimethylfluoren-2-yl)-7-[9,9-dimethyl-7-[4-(4-naphthalen-2-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluorene
CID 123709509
9,9-dimethyl-2-naphthalen-2-yl-7-[4-[(E)-2-phenylethenyl]phenyl]fluorene
CID 59217060
11,11-dimethyl-2,9-diphenylindeno[2,1-a]phenanthrene
CID 171742980

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-2,4-dien-1-yl-5,5-dimethyl-7-(4-naphthalen-2-ylphenyl)-4-phenylindeno[1,2-d]pyrimidine?
The IUPAC name of 2-cyclohexa-2,4-dien-1-yl-5,5-dimethyl-7-(4-naphthalen-2-ylphenyl)-4-phenylindeno[1,2-d]pyrimidine (CID 144636094) is 2-cyclohexa-2,4-dien-1-yl-5,5-dimethyl-7-(4-naphthalen-2-ylphenyl)-4-phenylindeno[1,2-d]pyrimidine.
What is the SMILES notation for 2-cyclohexa-2,4-dien-1-yl-5,5-dimethyl-7-(4-naphthalen-2-ylphenyl)-4-phenylindeno[1,2-d]pyrimidine?
The canonical SMILES for 2-cyclohexa-2,4-dien-1-yl-5,5-dimethyl-7-(4-naphthalen-2-ylphenyl)-4-phenylindeno[1,2-d]pyrimidine is CC1(C)c2cc(-c3ccc(-c4ccc5ccccc5c4)cc3)ccc2-c2nc(C3C=CC=CC3)nc(-c3ccccc3)c21.
What is the InChIKey of 2-cyclohexa-2,4-dien-1-yl-5,5-dimethyl-7-(4-naphthalen-2-ylphenyl)-4-phenylindeno[1,2-d]pyrimidine?
The InChIKey is VFNMZJOAQVGYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H32N2/c1-41(2)36-26-34(29-19-17-28(18-20-29)33-22-21-27-11-9-10-16-32(27)25-33)23-24-35(36)39-37(41)38(30-12-5-3-6-13-30)42-40(43-39)31-14-7-4-8-15-31/h3-14,16-26,31H,15H2,1-2H3.
What are the key properties of 2-cyclohexa-2,4-dien-1-yl-5,5-dimethyl-7-(4-naphthalen-2-ylphenyl)-4-phenylindeno[1,2-d]pyrimidine?
2-cyclohexa-2,4-dien-1-yl-5,5-dimethyl-7-(4-naphthalen-2-ylphenyl)-4-phenylindeno[1,2-d]pyrimidine has a molecular weight of 552.72 g/mol, XLogP of 10.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-2,4-dien-1-yl-5,5-dimethyl-7-(4-naphthalen-2-ylphenyl)-4-phenylindeno[1,2-d]pyrimidine is sourced from PubChem (CID 144636094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).