14-triphenylen-2-yl-12,18-dioxa-1-phosphaheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene

C44H25O2P — CID 144879437

IUPAC14-triphenylen-2-yl-12,18-dioxa-1-phosphaheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene
SMILESc1ccc2c3c(ccc2c1)Oc1ccc(-c2ccc4c5ccccc5c5ccccc5c4c2)c2c1P3c1c(ccc3ccccc13)O2
InChIInChI=1S/C44H25O2P/c1-3-11-30-26(9-1)18-22-38-42(30)47-43-31-12-4-2-10-27(31)19-23-39(43)46-41-29(21-24-40(45-38)44(41)47)28-17-20-36-34-15-6-5-13-32(34)33-14-7-8-16-35(33)37(36)25-28/h1-25H
InChIKeyDDOWHCITPNUGFS-UHFFFAOYSA-N
MW616.66 g/mol
LogP11.09
Rot. Bonds1

About 14-triphenylen-2-yl-12,18-dioxa-1-phosphaheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene

14-triphenylen-2-yl-12,18-dioxa-1-phosphaheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene (PubChem CID 144879437) has the molecular formula C44H25O2P and a molecular weight of 616.66 g/mol. Its IUPAC name is 14-triphenylen-2-yl-12,18-dioxa-1-phosphaheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene.

Molecular Properties

Compound Name14-triphenylen-2-yl-12,18-dioxa-1-phosphaheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene
PubChem CID144879437
Molecular FormulaC44H25O2P
Molecular Weight616.66 g/mol
Exact Mass616.16
IUPAC Name14-triphenylen-2-yl-12,18-dioxa-1-phosphaheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene
SMILESc1ccc2c3c(ccc2c1)Oc1ccc(-c2ccc4c5ccccc5c5ccccc5c4c2)c2c1P3c1c(ccc3ccccc13)O2
InChIInChI=1S/C44H25O2P/c1-3-11-30-26(9-1)18-22-38-42(30)47-43-31-12-4-2-10-27(31)19-23-39(43)46-41-29(21-24-40(45-38)44(41)47)28-17-20-36-34-15-6-5-13-32(34)33-14-7-8-16-35(33)37(36)25-28/h1-25H
InChIKeyDDOWHCITPNUGFS-UHFFFAOYSA-N
XLogP11.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.66
LogP ≤ 511.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 14-triphenylen-2-yl-12,18-dioxa-1-phosphaheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene with MolForge

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Related Compounds

14-(3-phenylphenyl)-12,18-dioxa-1-phosphahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19,21,23-undecaene
CID 144878963
4-(9-naphthalen-2-ylchrysen-3-yl)-2-oxapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3,5,7,9,11,13(21),14,16,18-decaene
CID 90267057
2,8-di(chrysen-6-yl)dibenzofuran
CID 87692920
4-(6-chrysen-3-ylnaphthalen-2-yl)-2-oxapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3,5,7,9,11,13(21),14,16,18-decaene;4-(6-naphthalen-1-ylnaphthalen-2-yl)-2-oxapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3,5,7,9,11,13(21),14,16,18-decaene;4-(6-naphthalen-2-ylnaphthalen-2-yl)-2-oxapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3,5,7,9,11,13(21),14,16,18-decaene;4-(6-phenanthren-2-ylnaphthalen-2-yl)-2-oxapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3,5,7,9,11,13(21),14,16,18-decaene
CID 158917682
2-(5,8-dinaphthalen-1-ylnaphthalen-2-yl)triphenylene;2-(5,8-dinaphthalen-2-ylnaphthalen-2-yl)triphenylene;2-(5-naphthalen-1-yl-8-naphthalen-2-ylnaphthalen-2-yl)triphenylene
CID 161163611
2-naphthalen-2-yl-6,12-di(phenanthren-2-yl)chrysene
CID 58511683
2-(6-phenanthren-2-ylpyren-1-yl)triphenylene
CID 176846459
2,7-di(phenanthren-2-yl)triphenylene
CID 58160997
2-(5,8-dinaphthalen-1-ylnaphthalen-2-yl)triphenylene
CID 161163612
12-(8-pyren-1-ylnaphthalen-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
CID 171046271
12-(7-pyren-1-ylnaphthalen-1-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
CID 171044941
ethane;2-[1-(4-methylphenyl)naphthalen-2-yl]triphenylene
CID 142592981

Frequently Asked Questions

What is the IUPAC name of 14-triphenylen-2-yl-12,18-dioxa-1-phosphaheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene?
The IUPAC name of 14-triphenylen-2-yl-12,18-dioxa-1-phosphaheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene (CID 144879437) is 14-triphenylen-2-yl-12,18-dioxa-1-phosphaheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene.
What is the SMILES notation for 14-triphenylen-2-yl-12,18-dioxa-1-phosphaheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene?
The canonical SMILES for 14-triphenylen-2-yl-12,18-dioxa-1-phosphaheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene is c1ccc2c3c(ccc2c1)Oc1ccc(-c2ccc4c5ccccc5c5ccccc5c4c2)c2c1P3c1c(ccc3ccccc13)O2.
What is the InChIKey of 14-triphenylen-2-yl-12,18-dioxa-1-phosphaheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene?
The InChIKey is DDOWHCITPNUGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H25O2P/c1-3-11-30-26(9-1)18-22-38-42(30)47-43-31-12-4-2-10-27(31)19-23-39(43)46-41-29(21-24-40(45-38)44(41)47)28-17-20-36-34-15-6-5-13-32(34)33-14-7-8-16-35(33)37(36)25-28/h1-25H.
What are the key properties of 14-triphenylen-2-yl-12,18-dioxa-1-phosphaheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene?
14-triphenylen-2-yl-12,18-dioxa-1-phosphaheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene has a molecular weight of 616.66 g/mol, XLogP of 11.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-triphenylen-2-yl-12,18-dioxa-1-phosphaheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene is sourced from PubChem (CID 144879437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).