7,7-dimethyl-10-[4-(1-naphthalen-1-yl-3-phenylpropan-2-yl)phenyl]fluoreno[2,3-b][1]benzofuran

C46H36O — CID 137420721

IUPAC7,7-dimethyl-10-[4-(1-naphthalen-1-yl-3-phenylpropan-2-yl)phenyl]fluoreno[2,3-b][1]benzofuran
SMILESCC1(C)c2ccc(-c3ccc(C(Cc4ccccc4)Cc4cccc5ccccc45)cc3)cc2-c2cc3c(cc21)oc1ccccc13
InChIInChI=1S/C46H36O/c1-46(2)42-24-23-34(27-39(42)40-28-41-38-17-8-9-18-44(38)47-45(41)29-43(40)46)31-19-21-32(22-20-31)36(25-30-11-4-3-5-12-30)26-35-15-10-14-33-13-6-7-16-37(33)35/h3-24,27-29,36H,25-26H2,1-2H3
InChIKeyUVSABXBJVAIONW-UHFFFAOYSA-N
MW604.79 g/mol
LogP12.28
Rot. Bonds6

About 7,7-dimethyl-10-[4-(1-naphthalen-1-yl-3-phenylpropan-2-yl)phenyl]fluoreno[2,3-b][1]benzofuran

7,7-dimethyl-10-[4-(1-naphthalen-1-yl-3-phenylpropan-2-yl)phenyl]fluoreno[2,3-b][1]benzofuran (PubChem CID 137420721) has the molecular formula C46H36O and a molecular weight of 604.79 g/mol. Its IUPAC name is 7,7-dimethyl-10-[4-(1-naphthalen-1-yl-3-phenylpropan-2-yl)phenyl]fluoreno[2,3-b][1]benzofuran.

Molecular Properties

Compound Name7,7-dimethyl-10-[4-(1-naphthalen-1-yl-3-phenylpropan-2-yl)phenyl]fluoreno[2,3-b][1]benzofuran
PubChem CID137420721
Molecular FormulaC46H36O
Molecular Weight604.79 g/mol
Exact Mass604.28
IUPAC Name7,7-dimethyl-10-[4-(1-naphthalen-1-yl-3-phenylpropan-2-yl)phenyl]fluoreno[2,3-b][1]benzofuran
SMILESCC1(C)c2ccc(-c3ccc(C(Cc4ccccc4)Cc4cccc5ccccc45)cc3)cc2-c2cc3c(cc21)oc1ccccc13
InChIInChI=1S/C46H36O/c1-46(2)42-24-23-34(27-39(42)40-28-41-38-17-8-9-18-44(38)47-45(41)29-43(40)46)31-19-21-32(22-20-31)36(25-30-11-4-3-5-12-30)26-35-15-10-14-33-13-6-7-16-37(33)35/h3-24,27-29,36H,25-26H2,1-2H3
InChIKeyUVSABXBJVAIONW-UHFFFAOYSA-N
XLogP12.28
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.79
LogP ≤ 512.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 7,7-dimethyl-10-[4-(1-naphthalen-1-yl-3-phenylpropan-2-yl)phenyl]fluoreno[2,3-b][1]benzofuran with MolForge

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Related Compounds

2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-10-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 154602605
4-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-10-yl)phenyl]-2,6-diphenylpyrimidine
CID 154602384
2-[4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-8-yl)phenyl]-4,6-diphenylpyridine
CID 154602507
2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 134218012
16,16-dimethyl-20-[3-(10-phenylanthracen-9-yl)phenyl]-10-oxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4,6,8,12,14,17(22),18,20,23-undecaene
CID 130211904
2-dibenzofuran-3-yl-7,7-dimethylfluoreno[2,3-b][1]benzofuran
CID 140907338
22,22-dimethyl-18-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-10-oxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16(21),17,19,23-undecaene
CID 130211952
3-[9,9-dimethyl-7-[(4-naphthalen-1-ylphenyl)-[4-(4-phenylphenyl)phenyl]methyl]fluoren-2-yl]dibenzofuran
CID 59136756
N-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-3-yl)phenyl]-N-phenyldibenzofuran-3-amine
CID 129256099
7,7-dimethyl-9-[3-(10-phenylanthracen-9-yl)phenyl]fluoreno[2,3-b][1]benzofuran
CID 130189425
2-[9,9-dimethyl-7-[(4-naphthalen-1-ylphenyl)-[4-(3-phenylphenyl)phenyl]methyl]fluoren-2-yl]dibenzofuran
CID 59136781
2-[3-[4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-9-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 154602744

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-10-[4-(1-naphthalen-1-yl-3-phenylpropan-2-yl)phenyl]fluoreno[2,3-b][1]benzofuran?
The IUPAC name of 7,7-dimethyl-10-[4-(1-naphthalen-1-yl-3-phenylpropan-2-yl)phenyl]fluoreno[2,3-b][1]benzofuran (CID 137420721) is 7,7-dimethyl-10-[4-(1-naphthalen-1-yl-3-phenylpropan-2-yl)phenyl]fluoreno[2,3-b][1]benzofuran.
What is the SMILES notation for 7,7-dimethyl-10-[4-(1-naphthalen-1-yl-3-phenylpropan-2-yl)phenyl]fluoreno[2,3-b][1]benzofuran?
The canonical SMILES for 7,7-dimethyl-10-[4-(1-naphthalen-1-yl-3-phenylpropan-2-yl)phenyl]fluoreno[2,3-b][1]benzofuran is CC1(C)c2ccc(-c3ccc(C(Cc4ccccc4)Cc4cccc5ccccc45)cc3)cc2-c2cc3c(cc21)oc1ccccc13.
What is the InChIKey of 7,7-dimethyl-10-[4-(1-naphthalen-1-yl-3-phenylpropan-2-yl)phenyl]fluoreno[2,3-b][1]benzofuran?
The InChIKey is UVSABXBJVAIONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H36O/c1-46(2)42-24-23-34(27-39(42)40-28-41-38-17-8-9-18-44(38)47-45(41)29-43(40)46)31-19-21-32(22-20-31)36(25-30-11-4-3-5-12-30)26-35-15-10-14-33-13-6-7-16-37(33)35/h3-24,27-29,36H,25-26H2,1-2H3.
What are the key properties of 7,7-dimethyl-10-[4-(1-naphthalen-1-yl-3-phenylpropan-2-yl)phenyl]fluoreno[2,3-b][1]benzofuran?
7,7-dimethyl-10-[4-(1-naphthalen-1-yl-3-phenylpropan-2-yl)phenyl]fluoreno[2,3-b][1]benzofuran has a molecular weight of 604.79 g/mol, XLogP of 12.28, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-10-[4-(1-naphthalen-1-yl-3-phenylpropan-2-yl)phenyl]fluoreno[2,3-b][1]benzofuran is sourced from PubChem (CID 137420721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).