7-(9,9-dimethylfluoren-3-yl)-1-(10-phenylanthracen-9-yl)dibenzofuran

C47H32O — CID 170249943

IUPAC7-(9,9-dimethylfluoren-3-yl)-1-(10-phenylanthracen-9-yl)dibenzofuran
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc4c(c3)oc3cccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)c34)ccc21
InChIInChI=1S/C47H32O/c1-47(2)40-21-11-10-15-32(40)39-27-30(24-26-41(39)47)31-23-25-37-43(28-31)48-42-22-12-20-38(46(37)42)45-35-18-8-6-16-33(35)44(29-13-4-3-5-14-29)34-17-7-9-19-36(34)45/h3-28H,1-2H3
InChIKeyQZWHZHXSQBMWPN-UHFFFAOYSA-N
MW612.77 g/mol
LogP13.20
Rot. Bonds3

About 7-(9,9-dimethylfluoren-3-yl)-1-(10-phenylanthracen-9-yl)dibenzofuran

7-(9,9-dimethylfluoren-3-yl)-1-(10-phenylanthracen-9-yl)dibenzofuran (PubChem CID 170249943) has the molecular formula C47H32O and a molecular weight of 612.77 g/mol. Its IUPAC name is 7-(9,9-dimethylfluoren-3-yl)-1-(10-phenylanthracen-9-yl)dibenzofuran.

Molecular Properties

Compound Name7-(9,9-dimethylfluoren-3-yl)-1-(10-phenylanthracen-9-yl)dibenzofuran
PubChem CID170249943
Molecular FormulaC47H32O
Molecular Weight612.77 g/mol
Exact Mass612.25
IUPAC Name7-(9,9-dimethylfluoren-3-yl)-1-(10-phenylanthracen-9-yl)dibenzofuran
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc4c(c3)oc3cccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)c34)ccc21
InChIInChI=1S/C47H32O/c1-47(2)40-21-11-10-15-32(40)39-27-30(24-26-41(39)47)31-23-25-37-43(28-31)48-42-22-12-20-38(46(37)42)45-35-18-8-6-16-33(35)44(29-13-4-3-5-14-29)34-17-7-9-19-36(34)45/h3-28H,1-2H3
InChIKeyQZWHZHXSQBMWPN-UHFFFAOYSA-N
XLogP13.20
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.77
LogP ≤ 513.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

4-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 122415644
1-(10-phenylanthracen-9-yl)-7-(3-phenylphenyl)dibenzofuran
CID 134471934
2-dibenzofuran-3-yl-4-[3-(9,9-dimethylfluoren-3-yl)phenyl]-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 170681220
2-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 170681215
2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 170681282
2-(9,9-dimethylfluoren-3-yl)-4-[3-(9-phenyldibenzofuran-3-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170681343
6-[9,9-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)fluoren-3-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 122425961
N-(4-dibenzofuran-3-ylphenyl)-N-[4-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4-phenylaniline
CID 168839392
7-(10-dibenzofuran-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;7-(10-dibenzofuran-3-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;7-[10-(4-dibenzofuran-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;7-[10-[4-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran;7-[10-[4-(9,9-dimethylfluoren-3-yl)phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 165037000
1-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-3-(3-methylphenyl)dibenzofuran
CID 159095714
2-(9,9-dimethylfluoren-3-yl)-4-(4-phenylphenyl)-6-[3-phenyl-5-(9-phenyldibenzofuran-3-yl)phenyl]-1,3,5-triazine
CID 170681229
9-(9,9-dimethylfluoren-3-yl)-2,10-diphenylanthracene
CID 59195155

Frequently Asked Questions

What is the IUPAC name of 7-(9,9-dimethylfluoren-3-yl)-1-(10-phenylanthracen-9-yl)dibenzofuran?
The IUPAC name of 7-(9,9-dimethylfluoren-3-yl)-1-(10-phenylanthracen-9-yl)dibenzofuran (CID 170249943) is 7-(9,9-dimethylfluoren-3-yl)-1-(10-phenylanthracen-9-yl)dibenzofuran.
What is the SMILES notation for 7-(9,9-dimethylfluoren-3-yl)-1-(10-phenylanthracen-9-yl)dibenzofuran?
The canonical SMILES for 7-(9,9-dimethylfluoren-3-yl)-1-(10-phenylanthracen-9-yl)dibenzofuran is CC1(C)c2ccccc2-c2cc(-c3ccc4c(c3)oc3cccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)c34)ccc21.
What is the InChIKey of 7-(9,9-dimethylfluoren-3-yl)-1-(10-phenylanthracen-9-yl)dibenzofuran?
The InChIKey is QZWHZHXSQBMWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32O/c1-47(2)40-21-11-10-15-32(40)39-27-30(24-26-41(39)47)31-23-25-37-43(28-31)48-42-22-12-20-38(46(37)42)45-35-18-8-6-16-33(35)44(29-13-4-3-5-14-29)34-17-7-9-19-36(34)45/h3-28H,1-2H3.
What are the key properties of 7-(9,9-dimethylfluoren-3-yl)-1-(10-phenylanthracen-9-yl)dibenzofuran?
7-(9,9-dimethylfluoren-3-yl)-1-(10-phenylanthracen-9-yl)dibenzofuran has a molecular weight of 612.77 g/mol, XLogP of 13.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(9,9-dimethylfluoren-3-yl)-1-(10-phenylanthracen-9-yl)dibenzofuran is sourced from PubChem (CID 170249943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).