5-[4-(4-methylphenyl)phenyl]naphtho[1,2-b][1]benzofuran

C29H20O — CID 118887094

IUPAC5-[4-(4-methylphenyl)phenyl]naphtho[1,2-b][1]benzofuran
SMILESCc1ccc(-c2ccc(-c3cc4c5ccccc5oc4c4ccccc34)cc2)cc1
InChIInChI=1S/C29H20O/c1-19-10-12-20(13-11-19)21-14-16-22(17-15-21)26-18-27-24-7-4-5-9-28(24)30-29(27)25-8-3-2-6-23(25)26/h2-18H,1H3
InChIKeyKZDOONXMVFKSRB-UHFFFAOYSA-N
MW384.48 g/mol
LogP8.38
Rot. Bonds2

About 5-[4-(4-methylphenyl)phenyl]naphtho[1,2-b][1]benzofuran

5-[4-(4-methylphenyl)phenyl]naphtho[1,2-b][1]benzofuran (PubChem CID 118887094) has the molecular formula C29H20O and a molecular weight of 384.48 g/mol. Its IUPAC name is 5-[4-(4-methylphenyl)phenyl]naphtho[1,2-b][1]benzofuran.

Molecular Properties

Compound Name5-[4-(4-methylphenyl)phenyl]naphtho[1,2-b][1]benzofuran
PubChem CID118887094
Molecular FormulaC29H20O
Molecular Weight384.48 g/mol
Exact Mass384.15
IUPAC Name5-[4-(4-methylphenyl)phenyl]naphtho[1,2-b][1]benzofuran
SMILESCc1ccc(-c2ccc(-c3cc4c5ccccc5oc4c4ccccc34)cc2)cc1
InChIInChI=1S/C29H20O/c1-19-10-12-20(13-11-19)21-14-16-22(17-15-21)26-18-27-24-7-4-5-9-28(24)30-29(27)25-8-3-2-6-23(25)26/h2-18H,1H3
InChIKeyKZDOONXMVFKSRB-UHFFFAOYSA-N
XLogP8.38
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 58.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[3-[3-(4-methylphenyl)phenyl]phenyl]dibenzofuran
CID 67964725
4-[3-(4-methylphenyl)-5-phenylphenyl]dibenzofuran
CID 70812680
5-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 134487627
2,4-diphenyl-6-[4-(3-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-1,3,5-triazine
CID 176853604
N-dibenzofuran-4-yl-N,5-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167403132
3-[4-[4-(4-methylphenyl)phenyl]phenyl]dibenzofuran
CID 67964733
N-(4-dibenzofuran-4-ylphenyl)-4-methyl-N-(4-methylphenyl)aniline
CID 58113345
4-(4-iodophenyl)-2-methyldibenzofuran
CID 161298948
6-methyl-12-phenyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4(9),5,7,10,12,14,16,18-nonaene
CID 118288198
5,22-bis(4-phenylphenyl)-13,30-dioxanonacyclo[17.15.1.12,14.03,12.06,11.020,29.023,28.031,35.018,36]hexatriaconta-1,3(12),4,6,8,10,14,16,18(36),19(35),20(29),21,23,25,27,31,33-heptadecaene;propane
CID 142925802
5-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphtho[1,2-b][1]benzofuran
CID 88568889
2-methyl-6-(4-methylphenyl)dibenzofuran
CID 134235595

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-methylphenyl)phenyl]naphtho[1,2-b][1]benzofuran?
The IUPAC name of 5-[4-(4-methylphenyl)phenyl]naphtho[1,2-b][1]benzofuran (CID 118887094) is 5-[4-(4-methylphenyl)phenyl]naphtho[1,2-b][1]benzofuran.
What is the SMILES notation for 5-[4-(4-methylphenyl)phenyl]naphtho[1,2-b][1]benzofuran?
The canonical SMILES for 5-[4-(4-methylphenyl)phenyl]naphtho[1,2-b][1]benzofuran is Cc1ccc(-c2ccc(-c3cc4c5ccccc5oc4c4ccccc34)cc2)cc1.
What is the InChIKey of 5-[4-(4-methylphenyl)phenyl]naphtho[1,2-b][1]benzofuran?
The InChIKey is KZDOONXMVFKSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20O/c1-19-10-12-20(13-11-19)21-14-16-22(17-15-21)26-18-27-24-7-4-5-9-28(24)30-29(27)25-8-3-2-6-23(25)26/h2-18H,1H3.
What are the key properties of 5-[4-(4-methylphenyl)phenyl]naphtho[1,2-b][1]benzofuran?
5-[4-(4-methylphenyl)phenyl]naphtho[1,2-b][1]benzofuran has a molecular weight of 384.48 g/mol, XLogP of 8.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-methylphenyl)phenyl]naphtho[1,2-b][1]benzofuran is sourced from PubChem (CID 118887094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).