2-[1-(4-phenylphenyl)propyl]naphtho[2,3-b][1]benzofuran

C31H24O — CID 137455701

IUPAC2-[1-(4-phenylphenyl)propyl]naphtho[2,3-b][1]benzofuran
SMILESCCC(c1ccc(-c2ccccc2)cc1)c1ccc2oc3cc4ccccc4cc3c2c1
InChIInChI=1S/C31H24O/c1-2-27(23-14-12-22(13-15-23)21-8-4-3-5-9-21)26-16-17-30-28(19-26)29-18-24-10-6-7-11-25(24)20-31(29)32-30/h3-20,27H,2H2,1H3
InChIKeyTZMXNBGWCNKLIV-UHFFFAOYSA-N
MW412.53 g/mol
LogP8.95
Rot. Bonds4

About 2-[1-(4-phenylphenyl)propyl]naphtho[2,3-b][1]benzofuran

2-[1-(4-phenylphenyl)propyl]naphtho[2,3-b][1]benzofuran (PubChem CID 137455701) has the molecular formula C31H24O and a molecular weight of 412.53 g/mol. Its IUPAC name is 2-[1-(4-phenylphenyl)propyl]naphtho[2,3-b][1]benzofuran.

Molecular Properties

Compound Name2-[1-(4-phenylphenyl)propyl]naphtho[2,3-b][1]benzofuran
PubChem CID137455701
Molecular FormulaC31H24O
Molecular Weight412.53 g/mol
Exact Mass412.18
IUPAC Name2-[1-(4-phenylphenyl)propyl]naphtho[2,3-b][1]benzofuran
SMILESCCC(c1ccc(-c2ccccc2)cc1)c1ccc2oc3cc4ccccc4cc3c2c1
InChIInChI=1S/C31H24O/c1-2-27(23-14-12-22(13-15-23)21-8-4-3-5-9-21)26-16-17-30-28(19-26)29-18-24-10-6-7-11-25(24)20-31(29)32-30/h3-20,27H,2H2,1H3
InChIKeyTZMXNBGWCNKLIV-UHFFFAOYSA-N
XLogP8.95
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.53
LogP ≤ 58.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-butan-2-yl-8-phenyldibenzofuran;ethane
CID 142405868
2-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran
CID 90433351
2-naphthalen-2-yl-4-naphtho[2,3-b][1]benzofuran-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 163505660
2-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran
CID 90433458
2-phenyl-8-(4-propan-2-ylphenyl)dibenzofuran
CID 67964002
CID 165025337
CID 165025337
2-(3,10-diphenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 118402744
2-(1,2,3,4,5,6,7,8-octamethyl-10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 167687087
2,8-bis[4-[phenyl-(4-phenylphenyl)methyl]phenyl]dibenzofuran
CID 162785544
2,8-bis(6-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran;2,8-bis(6-phenylnaphthalen-2-yl)dibenzofuran;2,8-bis(7-phenylnaphthalen-2-yl)dibenzofuran;2-[7-(cyclodecapentaenyl)naphthalen-2-yl]-8-(7-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran
CID 158865776
2-naphtho[2,3-b][1]benzofuran-3-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 163563632
N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
CID 176616741

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-phenylphenyl)propyl]naphtho[2,3-b][1]benzofuran?
The IUPAC name of 2-[1-(4-phenylphenyl)propyl]naphtho[2,3-b][1]benzofuran (CID 137455701) is 2-[1-(4-phenylphenyl)propyl]naphtho[2,3-b][1]benzofuran.
What is the SMILES notation for 2-[1-(4-phenylphenyl)propyl]naphtho[2,3-b][1]benzofuran?
The canonical SMILES for 2-[1-(4-phenylphenyl)propyl]naphtho[2,3-b][1]benzofuran is CCC(c1ccc(-c2ccccc2)cc1)c1ccc2oc3cc4ccccc4cc3c2c1.
What is the InChIKey of 2-[1-(4-phenylphenyl)propyl]naphtho[2,3-b][1]benzofuran?
The InChIKey is TZMXNBGWCNKLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24O/c1-2-27(23-14-12-22(13-15-23)21-8-4-3-5-9-21)26-16-17-30-28(19-26)29-18-24-10-6-7-11-25(24)20-31(29)32-30/h3-20,27H,2H2,1H3.
What are the key properties of 2-[1-(4-phenylphenyl)propyl]naphtho[2,3-b][1]benzofuran?
2-[1-(4-phenylphenyl)propyl]naphtho[2,3-b][1]benzofuran has a molecular weight of 412.53 g/mol, XLogP of 8.95, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-phenylphenyl)propyl]naphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 137455701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).