6-[4-(9,9-dimethylfluoren-2-yl)-1,8a-dihydronaphthalen-1-yl]-2,4-diphenyl-1,4-dihydropyrimidine

C41H34N2 — CID 170092580

IUPAC6-[4-(9,9-dimethylfluoren-2-yl)-1,8a-dihydronaphthalen-1-yl]-2,4-diphenyl-1,4-dihydropyrimidine
SMILESCC1(C)c2ccccc2-c2ccc(C3=C4C=CC=CC4C(C4=CC(c5ccccc5)N=C(c5ccccc5)N4)C=C3)cc21
InChIInChI=1S/C41H34N2/c1-41(2)36-20-12-11-19-33(36)34-22-21-29(25-37(34)41)30-23-24-35(32-18-10-9-17-31(30)32)39-26-38(27-13-5-3-6-14-27)42-40(43-39)28-15-7-4-8-16-28/h3-26,32,35,38H,1-2H3,(H,42,43)
InChIKeyKMPPOJWYQLOENA-UHFFFAOYSA-N
MW554.74 g/mol
LogP9.35
Rot. Bonds4

About 6-[4-(9,9-dimethylfluoren-2-yl)-1,8a-dihydronaphthalen-1-yl]-2,4-diphenyl-1,4-dihydropyrimidine

6-[4-(9,9-dimethylfluoren-2-yl)-1,8a-dihydronaphthalen-1-yl]-2,4-diphenyl-1,4-dihydropyrimidine (PubChem CID 170092580) has the molecular formula C41H34N2 and a molecular weight of 554.74 g/mol. Its IUPAC name is 6-[4-(9,9-dimethylfluoren-2-yl)-1,8a-dihydronaphthalen-1-yl]-2,4-diphenyl-1,4-dihydropyrimidine.

Molecular Properties

Compound Name6-[4-(9,9-dimethylfluoren-2-yl)-1,8a-dihydronaphthalen-1-yl]-2,4-diphenyl-1,4-dihydropyrimidine
PubChem CID170092580
Molecular FormulaC41H34N2
Molecular Weight554.74 g/mol
Exact Mass554.27
IUPAC Name6-[4-(9,9-dimethylfluoren-2-yl)-1,8a-dihydronaphthalen-1-yl]-2,4-diphenyl-1,4-dihydropyrimidine
SMILESCC1(C)c2ccccc2-c2ccc(C3=C4C=CC=CC4C(C4=CC(c5ccccc5)N=C(c5ccccc5)N4)C=C3)cc21
InChIInChI=1S/C41H34N2/c1-41(2)36-20-12-11-19-33(36)34-22-21-29(25-37(34)41)30-23-24-35(32-18-10-9-17-31(30)32)39-26-38(27-13-5-3-6-14-27)42-40(43-39)28-15-7-4-8-16-28/h3-26,32,35,38H,1-2H3,(H,42,43)
InChIKeyKMPPOJWYQLOENA-UHFFFAOYSA-N
XLogP9.35
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.74
LogP ≤ 59.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-[4-(9,9-difluorofluoren-2-yl)phenyl]-2,4-diphenyl-1,4-dihydropyrimidine
CID 135247165
4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,4-dihydropyrimidine
CID 130378906
2-phenyl-6-(4-phenylphenyl)-4-[3-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,4-dihydropyrimidine
CID 145110825
10-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-phenylindeno[2,1-a]indene
CID 123805916
2-[3,5-bis[7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 101336380
2,7-bis[3,5-bis[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9,9-dimethylfluorene
CID 58881238
9,9-dimethyl-2-[4-[(E)-2-phenylethenyl]phenyl]fluorene
CID 59217045
6-(5a,9a-dihydrodibenzofuran-3-yl)-4-[3-[3-(6',6'-dimethylspiro[cyclohexane-1,12'-indeno[1,2-b]fluorene]-4'-yl)phenyl]phenyl]-2-phenyl-1,4-dihydropyrimidine
CID 166901967
2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-4-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 142504632
2,4-bis[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 118530501
2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine
CID 121450738
2-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluorene
CID 59133445

Frequently Asked Questions

What is the IUPAC name of 6-[4-(9,9-dimethylfluoren-2-yl)-1,8a-dihydronaphthalen-1-yl]-2,4-diphenyl-1,4-dihydropyrimidine?
The IUPAC name of 6-[4-(9,9-dimethylfluoren-2-yl)-1,8a-dihydronaphthalen-1-yl]-2,4-diphenyl-1,4-dihydropyrimidine (CID 170092580) is 6-[4-(9,9-dimethylfluoren-2-yl)-1,8a-dihydronaphthalen-1-yl]-2,4-diphenyl-1,4-dihydropyrimidine.
What is the SMILES notation for 6-[4-(9,9-dimethylfluoren-2-yl)-1,8a-dihydronaphthalen-1-yl]-2,4-diphenyl-1,4-dihydropyrimidine?
The canonical SMILES for 6-[4-(9,9-dimethylfluoren-2-yl)-1,8a-dihydronaphthalen-1-yl]-2,4-diphenyl-1,4-dihydropyrimidine is CC1(C)c2ccccc2-c2ccc(C3=C4C=CC=CC4C(C4=CC(c5ccccc5)N=C(c5ccccc5)N4)C=C3)cc21.
What is the InChIKey of 6-[4-(9,9-dimethylfluoren-2-yl)-1,8a-dihydronaphthalen-1-yl]-2,4-diphenyl-1,4-dihydropyrimidine?
The InChIKey is KMPPOJWYQLOENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H34N2/c1-41(2)36-20-12-11-19-33(36)34-22-21-29(25-37(34)41)30-23-24-35(32-18-10-9-17-31(30)32)39-26-38(27-13-5-3-6-14-27)42-40(43-39)28-15-7-4-8-16-28/h3-26,32,35,38H,1-2H3,(H,42,43).
What are the key properties of 6-[4-(9,9-dimethylfluoren-2-yl)-1,8a-dihydronaphthalen-1-yl]-2,4-diphenyl-1,4-dihydropyrimidine?
6-[4-(9,9-dimethylfluoren-2-yl)-1,8a-dihydronaphthalen-1-yl]-2,4-diphenyl-1,4-dihydropyrimidine has a molecular weight of 554.74 g/mol, XLogP of 9.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(9,9-dimethylfluoren-2-yl)-1,8a-dihydronaphthalen-1-yl]-2,4-diphenyl-1,4-dihydropyrimidine is sourced from PubChem (CID 170092580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).