2-(7,7-dimethyl-3,4-dihydrofluoreno[4,3-b][1]benzofuran-5-yl)-4,6-diphenylpyrimidine

C37H28N2O — CID 163556619

IUPAC2-(7,7-dimethyl-3,4-dihydrofluoreno[4,3-b][1]benzofuran-5-yl)-4,6-diphenylpyrimidine
SMILESCC1(C)c2ccccc2-c2c1cc(-c1nc(-c3ccccc3)cc(-c3ccccc3)n1)c1c3c(oc21)C=CCC3
InChIInChI=1S/C37H28N2O/c1-37(2)28-19-11-9-17-25(28)34-29(37)21-27(33-26-18-10-12-20-32(26)40-35(33)34)36-38-30(23-13-5-3-6-14-23)22-31(39-36)24-15-7-4-8-16-24/h3-9,11-17,19-22H,10,18H2,1-2H3
InChIKeyFNPHGUMDCOMQBW-UHFFFAOYSA-N
MW516.64 g/mol
LogP9.49
Rot. Bonds3

About 2-(7,7-dimethyl-3,4-dihydrofluoreno[4,3-b][1]benzofuran-5-yl)-4,6-diphenylpyrimidine

2-(7,7-dimethyl-3,4-dihydrofluoreno[4,3-b][1]benzofuran-5-yl)-4,6-diphenylpyrimidine (PubChem CID 163556619) has the molecular formula C37H28N2O and a molecular weight of 516.64 g/mol. Its IUPAC name is 2-(7,7-dimethyl-3,4-dihydrofluoreno[4,3-b][1]benzofuran-5-yl)-4,6-diphenylpyrimidine.

Molecular Properties

Compound Name2-(7,7-dimethyl-3,4-dihydrofluoreno[4,3-b][1]benzofuran-5-yl)-4,6-diphenylpyrimidine
PubChem CID163556619
Molecular FormulaC37H28N2O
Molecular Weight516.64 g/mol
Exact Mass516.22
IUPAC Name2-(7,7-dimethyl-3,4-dihydrofluoreno[4,3-b][1]benzofuran-5-yl)-4,6-diphenylpyrimidine
SMILESCC1(C)c2ccccc2-c2c1cc(-c1nc(-c3ccccc3)cc(-c3ccccc3)n1)c1c3c(oc21)C=CCC3
InChIInChI=1S/C37H28N2O/c1-37(2)28-19-11-9-17-25(28)34-29(37)21-27(33-26-18-10-12-20-32(26)40-35(33)34)36-38-30(23-13-5-3-6-14-23)22-31(39-36)24-15-7-4-8-16-24/h3-9,11-17,19-22H,10,18H2,1-2H3
InChIKeyFNPHGUMDCOMQBW-UHFFFAOYSA-N
XLogP9.49
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.64
LogP ≤ 59.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-5-yl)-4-(5-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 176587218
2-[4-[9-(7,7-dimethylbenzo[c]fluoren-5-yl)-10-phenylanthracen-2-yl]phenyl]-4,5-dihydro-1,3-benzoxazole
CID 89024209
4-[4-(7,7-dimethylbenzo[c]fluoren-5-yl)naphthalen-1-yl]-2,6-diphenylpyrimidine
CID 170409613
14-N,31-N-bis(2,4-dimethylphenyl)-17,17,34,34-tetramethyl-14-N,31-N-diphenyl-6,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1(20),2,4,7,9,11,13,15,18,21,24(29),25,30,32-tetradecaene-14,31-diamine
CID 155420616
2-[1-[4-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-2-yl]-4,6-diphenylpyrimidine
CID 142491326
2-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-5-yl)-4-(9,9-dimethylfluoren-2-yl)-6-picen-4-yl-1,3,5-triazine
CID 176587100
2-[2-(9,9-dimethylfluoren-2-yl)-3-phenylphenyl]-4,6-diphenylpyrimidine
CID 175459036
2-(11,11-dimethylbenzo[a]fluoren-6-yl)-4,6-diphenylpyrimidine
CID 165151962
4-[3-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]phenyl]-2,6-diphenylpyrimidine
CID 134272139
2-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-5-yl)-4-(10,10-diphenyl-19-pentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaenyl)-6-phenyl-1,3,5-triazine
CID 176587134
4-(9,9-dimethylfluoren-2-yl)-2,6-diphenylpyrimidine
CID 139366503
4,6-bis(3-dibenzofuran-2-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)pyrimidine
CID 126543799

Frequently Asked Questions

What is the IUPAC name of 2-(7,7-dimethyl-3,4-dihydrofluoreno[4,3-b][1]benzofuran-5-yl)-4,6-diphenylpyrimidine?
The IUPAC name of 2-(7,7-dimethyl-3,4-dihydrofluoreno[4,3-b][1]benzofuran-5-yl)-4,6-diphenylpyrimidine (CID 163556619) is 2-(7,7-dimethyl-3,4-dihydrofluoreno[4,3-b][1]benzofuran-5-yl)-4,6-diphenylpyrimidine.
What is the SMILES notation for 2-(7,7-dimethyl-3,4-dihydrofluoreno[4,3-b][1]benzofuran-5-yl)-4,6-diphenylpyrimidine?
The canonical SMILES for 2-(7,7-dimethyl-3,4-dihydrofluoreno[4,3-b][1]benzofuran-5-yl)-4,6-diphenylpyrimidine is CC1(C)c2ccccc2-c2c1cc(-c1nc(-c3ccccc3)cc(-c3ccccc3)n1)c1c3c(oc21)C=CCC3.
What is the InChIKey of 2-(7,7-dimethyl-3,4-dihydrofluoreno[4,3-b][1]benzofuran-5-yl)-4,6-diphenylpyrimidine?
The InChIKey is FNPHGUMDCOMQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H28N2O/c1-37(2)28-19-11-9-17-25(28)34-29(37)21-27(33-26-18-10-12-20-32(26)40-35(33)34)36-38-30(23-13-5-3-6-14-23)22-31(39-36)24-15-7-4-8-16-24/h3-9,11-17,19-22H,10,18H2,1-2H3.
What are the key properties of 2-(7,7-dimethyl-3,4-dihydrofluoreno[4,3-b][1]benzofuran-5-yl)-4,6-diphenylpyrimidine?
2-(7,7-dimethyl-3,4-dihydrofluoreno[4,3-b][1]benzofuran-5-yl)-4,6-diphenylpyrimidine has a molecular weight of 516.64 g/mol, XLogP of 9.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7,7-dimethyl-3,4-dihydrofluoreno[4,3-b][1]benzofuran-5-yl)-4,6-diphenylpyrimidine is sourced from PubChem (CID 163556619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).