[1-(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)-2-naphthalen-1-yl-2H-quinolin-8-yl]-diphenylphosphane

C51H35NO2P2 — CID 89405071

IUPAC[1-(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)-2-naphthalen-1-yl-2H-quinolin-8-yl]-diphenylphosphane
SMILESC1=CC(c2cccc3ccccc23)N(p2oc3ccc4ccccc4c3c3c(ccc4ccccc43)o2)c2c1cccc2P(c1ccccc1)c1ccccc1
InChIInChI=1S/C51H35NO2P2/c1-3-20-39(21-4-1)55(40-22-5-2-6-23-40)48-28-14-19-38-29-32-45(44-27-13-18-35-15-7-10-24-41(35)44)52(51(38)48)56-53-46-33-30-36-16-8-11-25-42(36)49(46)50-43-26-12-9-17-37(43)31-34-47(50)54-56/h1-34,45H
InChIKeyXGSMFCXLINRSFF-UHFFFAOYSA-N
MW755.79 g/mol
LogP13.55
Rot. Bonds5

About [1-(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)-2-naphthalen-1-yl-2H-quinolin-8-yl]-diphenylphosphane

[1-(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)-2-naphthalen-1-yl-2H-quinolin-8-yl]-diphenylphosphane (PubChem CID 89405071) has the molecular formula C51H35NO2P2 and a molecular weight of 755.79 g/mol. Its IUPAC name is [1-(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)-2-naphthalen-1-yl-2H-quinolin-8-yl]-diphenylphosphane.

Molecular Properties

Compound Name[1-(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)-2-naphthalen-1-yl-2H-quinolin-8-yl]-diphenylphosphane
PubChem CID89405071
Molecular FormulaC51H35NO2P2
Molecular Weight755.79 g/mol
Exact Mass755.21
IUPAC Name[1-(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)-2-naphthalen-1-yl-2H-quinolin-8-yl]-diphenylphosphane
SMILESC1=CC(c2cccc3ccccc23)N(p2oc3ccc4ccccc4c3c3c(ccc4ccccc43)o2)c2c1cccc2P(c1ccccc1)c1ccccc1
InChIInChI=1S/C51H35NO2P2/c1-3-20-39(21-4-1)55(40-22-5-2-6-23-40)48-28-14-19-38-29-32-45(44-27-13-18-35-15-7-10-24-41(35)44)52(51(38)48)56-53-46-33-30-36-16-8-11-25-42(36)49(46)50-43-26-12-9-17-37(43)31-34-47(50)54-56/h1-34,45H
InChIKeyXGSMFCXLINRSFF-UHFFFAOYSA-N
XLogP13.55
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.79
LogP ≤ 513.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [1-(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)-2-naphthalen-1-yl-2H-quinolin-8-yl]-diphenylphosphane with MolForge

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Related Compounds

(11bS)-N,N-Bis[(S)-(+)-1-(2-methoxyphenyl)ethyl]dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine
CID 11296345
N-Benzyl-N-methyldinaphtho(2,1-d:1',2'-f)(1,3,2)dioxaphosphepin-4-amine
CID 11453323
N,N-Bis((R)-1-phenylethyl)dinaphtho(2,1-d:1',2'-f)(1,3,2)dioxaphosphepin-4-amine
CID 10886035
(11bR)-N,N-Bis((R)-(-)-1-(2-methoxyphenyl)ethyl)dinaphtho(2,1-d:1',2'-f)(1,3,2) dioxaphosphepin-4-amine
CID 11387829
N,N-Bis((S)-1-phenylethyl)dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine
CID 11731247
11bS-N,N-bis[(1S)-1-(1-naphthalenyl)ethyl]dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine
CID 12128642
N-[(1S)-1-phenylethyl]-N-[(1R)-1-phenylethyl]-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-amine
CID 21944153
N,N-bis[(1S)-1-phenylethyl]-10,16-bis(trifluoromethyl)-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-amine
CID 52915833
1-(2,6-Bis(3,5-bis(trifluoromethyl)phenyl)-8,9,10,11,12,13,14,15-octahydrodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)-7-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
CID 168441148
N-[(1S)-1-(2-methoxyphenyl)ethyl]-N-[(1S)-1-phenylethyl]-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-amine
CID 57332449
2,4,8,10-Tetramethyl-N,N-bis[(S)-1-phenylethyl]dibenzo[d,f][1,3,2]dioxaphosphepin-6-amine
CID 11202757
(11bR)-(2R,5R)-1-(Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)-2,5-diphenylpyrrolidine
CID 11478205

Frequently Asked Questions

What is the IUPAC name of [1-(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)-2-naphthalen-1-yl-2H-quinolin-8-yl]-diphenylphosphane?
The IUPAC name of [1-(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)-2-naphthalen-1-yl-2H-quinolin-8-yl]-diphenylphosphane (CID 89405071) is [1-(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)-2-naphthalen-1-yl-2H-quinolin-8-yl]-diphenylphosphane.
What is the SMILES notation for [1-(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)-2-naphthalen-1-yl-2H-quinolin-8-yl]-diphenylphosphane?
The canonical SMILES for [1-(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)-2-naphthalen-1-yl-2H-quinolin-8-yl]-diphenylphosphane is C1=CC(c2cccc3ccccc23)N(p2oc3ccc4ccccc4c3c3c(ccc4ccccc43)o2)c2c1cccc2P(c1ccccc1)c1ccccc1.
What is the InChIKey of [1-(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)-2-naphthalen-1-yl-2H-quinolin-8-yl]-diphenylphosphane?
The InChIKey is XGSMFCXLINRSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35NO2P2/c1-3-20-39(21-4-1)55(40-22-5-2-6-23-40)48-28-14-19-38-29-32-45(44-27-13-18-35-15-7-10-24-41(35)44)52(51(38)48)56-53-46-33-30-36-16-8-11-25-42(36)49(46)50-43-26-12-9-17-37(43)31-34-47(50)54-56/h1-34,45H.
What are the key properties of [1-(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)-2-naphthalen-1-yl-2H-quinolin-8-yl]-diphenylphosphane?
[1-(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)-2-naphthalen-1-yl-2H-quinolin-8-yl]-diphenylphosphane has a molecular weight of 755.79 g/mol, XLogP of 13.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(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)-2-naphthalen-1-yl-2H-quinolin-8-yl]-diphenylphosphane is sourced from PubChem (CID 89405071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).