dinaphthalen-2-yl(pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-2-yl)phosphane

C40H25P — CID 144896540

IUPACdinaphthalen-2-yl(pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-2-yl)phosphane
SMILESc1ccc2c(c1)-c1cccc3c1c-2cc1ccc(P(c2ccc4ccccc4c2)c2ccc4ccccc4c2)cc13
InChIInChI=1S/C40H25P/c1-3-10-28-22-31(19-16-26(28)8-1)41(32-20-17-27-9-2-4-11-29(27)23-32)33-21-18-30-24-39-35-13-6-5-12-34(35)36-14-7-15-37(40(36)39)38(30)25-33/h1-25H
InChIKeyDPLHYWIYEGXLSH-UHFFFAOYSA-N
MW536.61 g/mol
LogP9.70
Rot. Bonds3

About dinaphthalen-2-yl(pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-2-yl)phosphane

dinaphthalen-2-yl(pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-2-yl)phosphane (PubChem CID 144896540) has the molecular formula C40H25P and a molecular weight of 536.61 g/mol. Its IUPAC name is dinaphthalen-2-yl(pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-2-yl)phosphane.

Molecular Properties

Compound Namedinaphthalen-2-yl(pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-2-yl)phosphane
PubChem CID144896540
Molecular FormulaC40H25P
Molecular Weight536.61 g/mol
Exact Mass536.17
IUPAC Namedinaphthalen-2-yl(pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-2-yl)phosphane
SMILESc1ccc2c(c1)-c1cccc3c1c-2cc1ccc(P(c2ccc4ccccc4c2)c2ccc4ccccc4c2)cc13
InChIInChI=1S/C40H25P/c1-3-10-28-22-31(19-16-26(28)8-1)41(32-20-17-27-9-2-4-11-29(27)23-32)33-21-18-30-24-39-35-13-6-5-12-34(35)36-14-7-15-37(40(36)39)38(30)25-33/h1-25H
InChIKeyDPLHYWIYEGXLSH-UHFFFAOYSA-N
XLogP9.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.61
LogP ≤ 59.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze dinaphthalen-2-yl(pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-2-yl)phosphane with MolForge

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Related Compounds

pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-2-yl(diphenyl)phosphane
CID 144896334
dinaphthalen-2-yl(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-6-yl)phosphane
CID 144896343
(6-benzo[k]fluoranthen-3-ylnaphthalen-2-yl)-diphenylphosphane
CID 144896373
2-[6-(6-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-2-ylnaphthalen-2-yl)naphthalen-2-yl]pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene;2-[4-(6-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-2-ylnaphthalen-2-yl)phenyl]pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene
CID 159547349
dodecacyclo[31.11.1.111,19.02,32.04,30.05,27.08,26.010,24.013,18.037,45.038,43.023,46]hexatetraconta-1(44),2(32),3,5(27),6,8,10(24),11,13,15,17,19(46),20,22,25,28,30,33,35,37(45),38,40,42-tricosaene
CID 163204370
3-(6-phenanthren-9-ylnaphthalen-2-yl)fluoranthene
CID 123939461
benzo[a]pyrene;benzo[k]fluoranthene;hexacyclo[16.3.1.02,7.08,21.011,20.014,19]docosa-1(22),2,4,6,8(21),9,11(20),12,14(19),15,17-undecaene;naphtho[1,2-b]phenanthrene;pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene
CID 172768379
[4-(4-benzo[k]fluoranthen-3-ylnaphthalen-1-yl)phenyl]-diphenylphosphane
CID 144896450
pentaphene;perylene
CID 159419403
3-(6-naphthalen-2-ylnaphthalen-2-yl)benzo[k]fluoranthene
CID 166019533
3-(7-benzo[k]fluoranthen-3-ylnaphthalen-2-yl)benzo[k]fluoranthene
CID 59805129
diphenyl-[6-(12-phenylbenzo[k]fluoranthen-7-yl)naphthalen-2-yl]phosphane
CID 144896186

Frequently Asked Questions

What is the IUPAC name of dinaphthalen-2-yl(pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-2-yl)phosphane?
The IUPAC name of dinaphthalen-2-yl(pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-2-yl)phosphane (CID 144896540) is dinaphthalen-2-yl(pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-2-yl)phosphane.
What is the SMILES notation for dinaphthalen-2-yl(pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-2-yl)phosphane?
The canonical SMILES for dinaphthalen-2-yl(pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-2-yl)phosphane is c1ccc2c(c1)-c1cccc3c1c-2cc1ccc(P(c2ccc4ccccc4c2)c2ccc4ccccc4c2)cc13.
What is the InChIKey of dinaphthalen-2-yl(pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-2-yl)phosphane?
The InChIKey is DPLHYWIYEGXLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25P/c1-3-10-28-22-31(19-16-26(28)8-1)41(32-20-17-27-9-2-4-11-29(27)23-32)33-21-18-30-24-39-35-13-6-5-12-34(35)36-14-7-15-37(40(36)39)38(30)25-33/h1-25H.
What are the key properties of dinaphthalen-2-yl(pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-2-yl)phosphane?
dinaphthalen-2-yl(pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-2-yl)phosphane has a molecular weight of 536.61 g/mol, XLogP of 9.70, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dinaphthalen-2-yl(pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-2-yl)phosphane is sourced from PubChem (CID 144896540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).