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

C34H21O2P — CID 144878963

IUPAC14-(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
SMILESc1ccc(-c2cccc(-c3ccc4c5c3Oc3ccc6ccccc6c3P5c3ccccc3O4)c2)cc1
InChIInChI=1S/C34H21O2P/c1-2-9-22(10-3-1)24-12-8-13-25(21-24)26-18-20-30-34-32(26)36-29-19-17-23-11-4-5-14-27(23)33(29)37(34)31-16-7-6-15-28(31)35-30/h1-21H
InChIKeyILGAHWCCUKHZSP-UHFFFAOYSA-N
MW492.51 g/mol
LogP8.14
Rot. Bonds2

About 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

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 (PubChem CID 144878963) has the molecular formula C34H21O2P and a molecular weight of 492.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name14-(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
PubChem CID144878963
Molecular FormulaC34H21O2P
Molecular Weight492.51 g/mol
Exact Mass492.13
IUPAC Name14-(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
SMILESc1ccc(-c2cccc(-c3ccc4c5c3Oc3ccc6ccccc6c3P5c3ccccc3O4)c2)cc1
InChIInChI=1S/C34H21O2P/c1-2-9-22(10-3-1)24-12-8-13-25(21-24)26-18-20-30-34-32(26)36-29-19-17-23-11-4-5-14-27(23)33(29)37(34)31-16-7-6-15-28(31)35-30/h1-21H
InChIKeyILGAHWCCUKHZSP-UHFFFAOYSA-N
XLogP8.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.51
LogP ≤ 58.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
15-(3,5-diphenylphenyl)-12,18-dioxa-1-phosphahexacyclo[11.11.1.02,11.05,10.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19,21,23-undecaene
CID 144879376
N-[4-[3-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-[4-[3-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]phenyl]-N-(4-phenylphenyl)phenanthren-2-amine
CID 158363283
14-naphthalen-2-yl-21-phenyl-12,18-dioxa-1λ5-phosphahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19(24),20,22-undecaene 1-oxide
CID 118220255
3-[3-(2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaen-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline
CID 166986872
N-[4-[3-(12,18-dioxa-1-azahexacyclo[11.11.1.02,11.05,10.017,25.019,24]pentacosa-2(11),3,5,7,9,13(25),14,16,19,21,23-undecaen-16-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[3-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 157297024
9-[3-[6-(6-phenanthren-9-ylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthrene;9-[3-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthrene
CID 158676895
10-(6-diphenylphosphorylnaphthalen-2-yl)-2,13-dioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene
CID 126501789
12-(3-benzo[a]anthracen-12-ylphenyl)-4-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene
CID 171045092
16-(6-naphthalen-1-ylnaphthalen-2-yl)-5,20-diphenyl-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene
CID 121450102
3-[3-(2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaen-4-yl)phenyl]-N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)aniline
CID 166986714
1-(3-naphthalen-2-ylphenyl)naphthalene
CID 153293143

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2cccc(-c3ccc4c5c3Oc3ccc6ccccc6c3P5c3ccccc3O4)c2)cc1.
What is the InChIKey of 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?
The InChIKey is ILGAHWCCUKHZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H21O2P/c1-2-9-22(10-3-1)24-12-8-13-25(21-24)26-18-20-30-34-32(26)36-29-19-17-23-11-4-5-14-27(23)33(29)37(34)31-16-7-6-15-28(31)35-30/h1-21H.
What are the key properties of 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?
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 has a molecular weight of 492.51 g/mol, XLogP of 8.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 144878963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).