2-[(2-phenylphenyl)methyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene

C27H18O — CID 159920560

IUPAC2-[(2-phenylphenyl)methyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene
SMILESc1ccc(-c2ccccc2Cc2ccc3ccc4cccc5oc2c3c45)cc1
InChIInChI=1S/C27H18O/c1-2-7-18(8-3-1)23-11-5-4-9-21(23)17-22-16-15-20-14-13-19-10-6-12-24-25(19)26(20)27(22)28-24/h1-16H,17H2
InChIKeyRBBVUQDXRUXWDR-UHFFFAOYSA-N
MW358.44 g/mol
LogP7.43
Rot. Bonds3

About 2-[(2-phenylphenyl)methyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene

2-[(2-phenylphenyl)methyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene (PubChem CID 159920560) has the molecular formula C27H18O and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-[(2-phenylphenyl)methyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene.

Molecular Properties

Compound Name2-[(2-phenylphenyl)methyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene
PubChem CID159920560
Molecular FormulaC27H18O
Molecular Weight358.44 g/mol
Exact Mass358.14
IUPAC Name2-[(2-phenylphenyl)methyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene
SMILESc1ccc(-c2ccccc2Cc2ccc3ccc4cccc5oc2c3c45)cc1
InChIInChI=1S/C27H18O/c1-2-7-18(8-3-1)23-11-5-4-9-21(23)17-22-16-15-20-14-13-19-10-6-12-24-25(19)26(20)27(22)28-24/h1-16H,17H2
InChIKeyRBBVUQDXRUXWDR-UHFFFAOYSA-N
XLogP7.43
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.44
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

7-phenylnaphtho[1,2-b][1]benzofuran
CID 166938823
N,N-bis(4-naphthalen-1-ylphenyl)-4-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-2-yl)aniline
CID 122599277
2-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene
CID 162712152
6-phenyl-1-[10-[(2-phenylphenyl)methyl]anthracen-9-yl]dibenzofuran
CID 167393021
1-(8-naphthalen-1-ylpyren-1-yl)-6-phenyldibenzofuran
CID 170658024
2-dibenzofuran-4-yl-4-phenanthren-4-yl-6-(2-phenylphenyl)-1,3,5-triazine
CID 169278868
7-[[2-(2-methylphenyl)phenyl]methyl]-9,13-diphenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2(21),3,5,7,9,12,14,16(20),17-decaene
CID 144854585
1-phenanthren-4-yl-3-(2-phenylphenyl)-2-benzofuran
CID 156553333
1,6-diphenyldibenzofuran
CID 145331756
11-[4-(4-phenylphenyl)phenyl]-9-oxahexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1,3,5,7,10,12,14,16(21),17,19-decaene
CID 164845553
4-naphthalen-1-yl-1-[10-[(2-naphthalen-2-ylphenyl)methyl]anthracen-9-yl]dibenzofuran
CID 167392397
4-(4-naphthalen-1-ylphenyl)-1-(6-phenylpyren-1-yl)naphtho[2,3-b][1]benzofuran
CID 170939934

Frequently Asked Questions

What is the IUPAC name of 2-[(2-phenylphenyl)methyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene?
The IUPAC name of 2-[(2-phenylphenyl)methyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene (CID 159920560) is 2-[(2-phenylphenyl)methyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene.
What is the SMILES notation for 2-[(2-phenylphenyl)methyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene?
The canonical SMILES for 2-[(2-phenylphenyl)methyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene is c1ccc(-c2ccccc2Cc2ccc3ccc4cccc5oc2c3c45)cc1.
What is the InChIKey of 2-[(2-phenylphenyl)methyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene?
The InChIKey is RBBVUQDXRUXWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18O/c1-2-7-18(8-3-1)23-11-5-4-9-21(23)17-22-16-15-20-14-13-19-10-6-12-24-25(19)26(20)27(22)28-24/h1-16H,17H2.
What are the key properties of 2-[(2-phenylphenyl)methyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene?
2-[(2-phenylphenyl)methyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene has a molecular weight of 358.44 g/mol, XLogP of 7.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-phenylphenyl)methyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene is sourced from PubChem (CID 159920560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).