9-(3-naphthalen-2-ylphenyl)-14-oxaheptacyclo[15.12.0.03,15.04,13.07,12.018,23.024,29]nonacosa-1,3(15),4(13),5,7(12),8,10,16,18,20,22,24,26,28-tetradecaene

C44H26O — CID 154600451

IUPAC9-(3-naphthalen-2-ylphenyl)-14-oxaheptacyclo[15.12.0.03,15.04,13.07,12.018,23.024,29]nonacosa-1,3(15),4(13),5,7(12),8,10,16,18,20,22,24,26,28-tetradecaene
SMILESc1cc(-c2ccc3ccccc3c2)cc(-c2ccc3c(ccc4c5cc6c7ccccc7c7ccccc7c6cc5oc34)c2)c1
InChIInChI=1S/C44H26O/c1-2-9-28-22-31(17-16-27(28)8-1)29-10-7-11-30(23-29)32-18-20-34-33(24-32)19-21-39-42-25-40-37-14-5-3-12-35(37)36-13-4-6-15-38(36)41(40)26-43(42)45-44(34)39/h1-26H
InChIKeyLDBDBIXZGDMUAL-UHFFFAOYSA-N
MW570.69 g/mol
LogP12.69
Rot. Bonds2

About 9-(3-naphthalen-2-ylphenyl)-14-oxaheptacyclo[15.12.0.03,15.04,13.07,12.018,23.024,29]nonacosa-1,3(15),4(13),5,7(12),8,10,16,18,20,22,24,26,28-tetradecaene

9-(3-naphthalen-2-ylphenyl)-14-oxaheptacyclo[15.12.0.03,15.04,13.07,12.018,23.024,29]nonacosa-1,3(15),4(13),5,7(12),8,10,16,18,20,22,24,26,28-tetradecaene (PubChem CID 154600451) has the molecular formula C44H26O and a molecular weight of 570.69 g/mol. Its IUPAC name is 9-(3-naphthalen-2-ylphenyl)-14-oxaheptacyclo[15.12.0.03,15.04,13.07,12.018,23.024,29]nonacosa-1,3(15),4(13),5,7(12),8,10,16,18,20,22,24,26,28-tetradecaene.

Molecular Properties

Compound Name9-(3-naphthalen-2-ylphenyl)-14-oxaheptacyclo[15.12.0.03,15.04,13.07,12.018,23.024,29]nonacosa-1,3(15),4(13),5,7(12),8,10,16,18,20,22,24,26,28-tetradecaene
PubChem CID154600451
Molecular FormulaC44H26O
Molecular Weight570.69 g/mol
Exact Mass570.20
IUPAC Name9-(3-naphthalen-2-ylphenyl)-14-oxaheptacyclo[15.12.0.03,15.04,13.07,12.018,23.024,29]nonacosa-1,3(15),4(13),5,7(12),8,10,16,18,20,22,24,26,28-tetradecaene
SMILESc1cc(-c2ccc3ccccc3c2)cc(-c2ccc3c(ccc4c5cc6c7ccccc7c7ccccc7c6cc5oc34)c2)c1
InChIInChI=1S/C44H26O/c1-2-9-28-22-31(17-16-27(28)8-1)29-10-7-11-30(23-29)32-18-20-34-33(24-32)19-21-39-42-25-40-37-14-5-3-12-35(37)36-13-4-6-15-38(36)41(40)26-43(42)45-44(34)39/h1-26H
InChIKeyLDBDBIXZGDMUAL-UHFFFAOYSA-N
XLogP12.69
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.69
LogP ≤ 512.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 9-(3-naphthalen-2-ylphenyl)-14-oxaheptacyclo[15.12.0.03,15.04,13.07,12.018,23.024,29]nonacosa-1,3(15),4(13),5,7(12),8,10,16,18,20,22,24,26,28-tetradecaene with MolForge

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Related Compounds

9-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 90433768
9-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran
CID 158942554
21-[4-(6-phenanthren-2-ylnaphthalen-2-yl)phenyl]-14-oxaheptacyclo[15.12.0.03,15.04,13.06,11.018,23.024,29]nonacosa-1,3(15),4,6,8,10,12,16,18(23),19,21,24,26,28-tetradecaene
CID 164721197
6-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 122426855
7-[3-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 88568845
7-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 88568836
2,4-dinaphthalen-2-yl-6-[3-[3-(6-naphtho[1,2-b][1]benzofuran-9-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-1,3,5-triazine
CID 154614133
2-naphthalen-2-yl-4-(23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-20-yl)-6-phenyl-1,3,5-triazine
CID 158202082
2-naphthalen-2-yl-7-(3-naphthalen-2-ylphenyl)phenanthrene
CID 59399010
10-[10-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]anthracen-9-yl]-16-oxahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15(23),17,19,21,24-dodecaene
CID 153472139
9-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;3-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran;3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran;9-(10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran
CID 159449989
7-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-12,16-dioxahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5(10),6,8,14,17,19,21,23-undecaene
CID 130185438

Frequently Asked Questions

What is the IUPAC name of 9-(3-naphthalen-2-ylphenyl)-14-oxaheptacyclo[15.12.0.03,15.04,13.07,12.018,23.024,29]nonacosa-1,3(15),4(13),5,7(12),8,10,16,18,20,22,24,26,28-tetradecaene?
The IUPAC name of 9-(3-naphthalen-2-ylphenyl)-14-oxaheptacyclo[15.12.0.03,15.04,13.07,12.018,23.024,29]nonacosa-1,3(15),4(13),5,7(12),8,10,16,18,20,22,24,26,28-tetradecaene (CID 154600451) is 9-(3-naphthalen-2-ylphenyl)-14-oxaheptacyclo[15.12.0.03,15.04,13.07,12.018,23.024,29]nonacosa-1,3(15),4(13),5,7(12),8,10,16,18,20,22,24,26,28-tetradecaene.
What is the SMILES notation for 9-(3-naphthalen-2-ylphenyl)-14-oxaheptacyclo[15.12.0.03,15.04,13.07,12.018,23.024,29]nonacosa-1,3(15),4(13),5,7(12),8,10,16,18,20,22,24,26,28-tetradecaene?
The canonical SMILES for 9-(3-naphthalen-2-ylphenyl)-14-oxaheptacyclo[15.12.0.03,15.04,13.07,12.018,23.024,29]nonacosa-1,3(15),4(13),5,7(12),8,10,16,18,20,22,24,26,28-tetradecaene is c1cc(-c2ccc3ccccc3c2)cc(-c2ccc3c(ccc4c5cc6c7ccccc7c7ccccc7c6cc5oc34)c2)c1.
What is the InChIKey of 9-(3-naphthalen-2-ylphenyl)-14-oxaheptacyclo[15.12.0.03,15.04,13.07,12.018,23.024,29]nonacosa-1,3(15),4(13),5,7(12),8,10,16,18,20,22,24,26,28-tetradecaene?
The InChIKey is LDBDBIXZGDMUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26O/c1-2-9-28-22-31(17-16-27(28)8-1)29-10-7-11-30(23-29)32-18-20-34-33(24-32)19-21-39-42-25-40-37-14-5-3-12-35(37)36-13-4-6-15-38(36)41(40)26-43(42)45-44(34)39/h1-26H.
What are the key properties of 9-(3-naphthalen-2-ylphenyl)-14-oxaheptacyclo[15.12.0.03,15.04,13.07,12.018,23.024,29]nonacosa-1,3(15),4(13),5,7(12),8,10,16,18,20,22,24,26,28-tetradecaene?
9-(3-naphthalen-2-ylphenyl)-14-oxaheptacyclo[15.12.0.03,15.04,13.07,12.018,23.024,29]nonacosa-1,3(15),4(13),5,7(12),8,10,16,18,20,22,24,26,28-tetradecaene has a molecular weight of 570.69 g/mol, XLogP of 12.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-naphthalen-2-ylphenyl)-14-oxaheptacyclo[15.12.0.03,15.04,13.07,12.018,23.024,29]nonacosa-1,3(15),4(13),5,7(12),8,10,16,18,20,22,24,26,28-tetradecaene is sourced from PubChem (CID 154600451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).