[1-[2-[(10,16-dimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)oxy]naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane

C54H38O3P2 — CID 10676784

IUPAC[1-[2-[(10,16-dimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)oxy]naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane
SMILESCc1cc2ccccc2c2c1op(Oc1ccc3ccccc3c1-c1c(P(c3ccccc3)c3ccccc3)ccc3ccccc13)oc1c(C)cc3ccccc3c12
InChIInChI=1S/C54H38O3P2/c1-35-33-39-19-11-15-27-45(39)51-52-46-28-16-12-20-40(46)34-36(2)54(52)57-59(56-53(35)51)55-47-31-29-37-17-9-13-25-43(37)49(47)50-44-26-14-10-18-38(44)30-32-48(50)58(41-21-5-3-6-22-41)42-23-7-4-8-24-42/h3-34H,1-2H3
InChIKeyKORNMKRHAFAJJR-UHFFFAOYSA-N
MW796.84 g/mol
LogP14.79
Rot. Bonds6

About [1-[2-[(10,16-dimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)oxy]naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane

[1-[2-[(10,16-dimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)oxy]naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane (PubChem CID 10676784) has the molecular formula C54H38O3P2 and a molecular weight of 796.84 g/mol. Its IUPAC name is [1-[2-[(10,16-dimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)oxy]naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane.

Molecular Properties

Compound Name[1-[2-[(10,16-dimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)oxy]naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane
PubChem CID10676784
Molecular FormulaC54H38O3P2
Molecular Weight796.84 g/mol
Exact Mass796.23
IUPAC Name[1-[2-[(10,16-dimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)oxy]naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane
SMILESCc1cc2ccccc2c2c1op(Oc1ccc3ccccc3c1-c1c(P(c3ccccc3)c3ccccc3)ccc3ccccc13)oc1c(C)cc3ccccc3c12
InChIInChI=1S/C54H38O3P2/c1-35-33-39-19-11-15-27-45(39)51-52-46-28-16-12-20-40(46)34-36(2)54(52)57-59(56-53(35)51)55-47-31-29-37-17-9-13-25-43(37)49(47)50-44-26-14-10-18-38(44)30-32-48(50)58(41-21-5-3-6-22-41)42-23-7-4-8-24-42/h3-34H,1-2H3
InChIKeyKORNMKRHAFAJJR-UHFFFAOYSA-N
XLogP14.79
TPSA35.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500796.84
LogP ≤ 514.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [1-[2-[(10,16-dimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)oxy]naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane with MolForge

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Related Compounds

6,6'-((3,3',5,5'-Tetrakis(1,1-dimethylethyl)(1,1'-biphenyl)-2,2'-diyl)bis(oxy))bis(dibenzo(d,f)(1,3,2)dioxaphosphepin)
CID 10963933
13-Chloro-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 4372074
(S)-(+)-(3,5-Dioxa-4-phospha-cyclohepta[2,1-a;3,4-a']dinaphthalen-4-yl)dimethylamine
CID 10893715
N-Benzyl-N-methyldinaphtho(2,1-d:1',2'-f)(1,3,2)dioxaphosphepin-4-amine
CID 11453323
Methyl 4-[13-hydroxy-16-(4-methoxycarbonylphenyl)-13-oxo-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]benzoate
CID 146294470
(S,S)-Kelliphite
CID 11815482
N,N,2,6-Tetramethyldinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine
CID 11452018
10,16-bis(4-fluorophenyl)-N,N-dimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(23),2,8,10,15,17-hexaen-13-amine
CID 101499255
1-(Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)piperidine
CID 11429465
(11bS)-4-Methoxydinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine
CID 10148332
(R)-4-Phenoxydinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine
CID 10525496
Binaphos
CID 10898017

Frequently Asked Questions

What is the IUPAC name of [1-[2-[(10,16-dimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)oxy]naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane?
The IUPAC name of [1-[2-[(10,16-dimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)oxy]naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane (CID 10676784) is [1-[2-[(10,16-dimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)oxy]naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane.
What is the SMILES notation for [1-[2-[(10,16-dimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)oxy]naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane?
The canonical SMILES for [1-[2-[(10,16-dimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)oxy]naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane is Cc1cc2ccccc2c2c1op(Oc1ccc3ccccc3c1-c1c(P(c3ccccc3)c3ccccc3)ccc3ccccc13)oc1c(C)cc3ccccc3c12.
What is the InChIKey of [1-[2-[(10,16-dimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)oxy]naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane?
The InChIKey is KORNMKRHAFAJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38O3P2/c1-35-33-39-19-11-15-27-45(39)51-52-46-28-16-12-20-40(46)34-36(2)54(52)57-59(56-53(35)51)55-47-31-29-37-17-9-13-25-43(37)49(47)50-44-26-14-10-18-38(44)30-32-48(50)58(41-21-5-3-6-22-41)42-23-7-4-8-24-42/h3-34H,1-2H3.
What are the key properties of [1-[2-[(10,16-dimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)oxy]naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane?
[1-[2-[(10,16-dimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)oxy]naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane has a molecular weight of 796.84 g/mol, XLogP of 14.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[(10,16-dimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)oxy]naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane is sourced from PubChem (CID 10676784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).