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

C58H34O — CID 164721197

IUPAC21-[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
SMILESc1ccc2cc3c(cc2c1)oc1cc2c4ccc(-c5ccc(-c6ccc7cc(-c8ccc9c(ccc%10ccccc%109)c8)ccc7c6)cc5)cc4c4ccccc4c2cc13
InChIInChI=1S/C58H34O/c1-2-9-39-32-57-55(31-38(39)8-1)56-33-53-50-12-6-5-11-49(50)52-30-45(24-26-51(52)54(53)34-58(56)59-57)36-15-13-35(14-16-36)40-18-19-42-28-43(21-20-41(42)27-40)44-23-25-48-46(29-44)22-17-37-7-3-4-10-47(37)48/h1-34H
InChIKeyGVEQLDWTBQBOOM-UHFFFAOYSA-N
MW746.91 g/mol
LogP16.66
Rot. Bonds3

About 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

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 (PubChem CID 164721197) has the molecular formula C58H34O and a molecular weight of 746.91 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name21-[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
PubChem CID164721197
Molecular FormulaC58H34O
Molecular Weight746.91 g/mol
Exact Mass746.26
IUPAC Name21-[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
SMILESc1ccc2cc3c(cc2c1)oc1cc2c4ccc(-c5ccc(-c6ccc7cc(-c8ccc9c(ccc%10ccccc%109)c8)ccc7c6)cc5)cc4c4ccccc4c2cc13
InChIInChI=1S/C58H34O/c1-2-9-39-32-57-55(31-38(39)8-1)56-33-53-50-12-6-5-11-49(50)52-30-45(24-26-51(52)54(53)34-58(56)59-57)36-15-13-35(14-16-36)40-18-19-42-28-43(21-20-41(42)27-40)44-23-25-48-46(29-44)22-17-37-7-3-4-10-47(37)48/h1-34H
InChIKeyGVEQLDWTBQBOOM-UHFFFAOYSA-N
XLogP16.66
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.91
LogP ≤ 516.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

21-(6-phenylnaphthalen-2-yl)-14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18(23),19,21,24,26,28-tetradecaene
CID 149209334
2,7-di(phenanthren-2-yl)triphenylene
CID 58160997
2-(10-naphthalen-2-ylanthracen-9-yl)-8-phenanthren-2-yldibenzofuran
CID 58194354
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
3-(6-phenanthren-3-ylphenanthren-2-yl)chrysene
CID 123221048
3-(7-phenanthren-2-ylphenanthren-2-yl)chrysene
CID 123286443
2-(6-phenanthren-9-ylnaphthalen-2-yl)-8-phenyldibenzofuran
CID 58569217
2-(2-naphthalen-2-yl-10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 118402714
3-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[2,3-b][1]benzofuran
CID 88569060
2-[10-(3-phenanthren-9-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;2-[10-(3-triphenylen-2-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 159104776
2,8-di(chrysen-6-yl)dibenzofuran
CID 87692920
2-phenyl-8-(7-triphenylen-2-ylnaphthalen-2-yl)dibenzofuran
CID 58569708

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc2cc3c(cc2c1)oc1cc2c4ccc(-c5ccc(-c6ccc7cc(-c8ccc9c(ccc%10ccccc%109)c8)ccc7c6)cc5)cc4c4ccccc4c2cc13.
What is the InChIKey of 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?
The InChIKey is GVEQLDWTBQBOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H34O/c1-2-9-39-32-57-55(31-38(39)8-1)56-33-53-50-12-6-5-11-49(50)52-30-45(24-26-51(52)54(53)34-58(56)59-57)36-15-13-35(14-16-36)40-18-19-42-28-43(21-20-41(42)27-40)44-23-25-48-46(29-44)22-17-37-7-3-4-10-47(37)48/h1-34H.
What are the key properties of 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?
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 has a molecular weight of 746.91 g/mol, XLogP of 16.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 164721197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).