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

C32H21P — CID 144896334

IUPACpentacyclo[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
SMILESc1ccc(P(c2ccccc2)c2ccc3cc4c5c(cccc5c3c2)-c2ccccc2-4)cc1
InChIInChI=1S/C32H21P/c1-3-10-23(11-4-1)33(24-12-5-2-6-13-24)25-19-18-22-20-31-27-15-8-7-14-26(27)28-16-9-17-29(32(28)31)30(22)21-25/h1-21H
InChIKeyWFBQNTYTZJJWPQ-UHFFFAOYSA-N
MW436.49 g/mol
LogP7.40
Rot. Bonds3

About 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

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 (PubChem CID 144896334) has the molecular formula C32H21P and a molecular weight of 436.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namepentacyclo[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
PubChem CID144896334
Molecular FormulaC32H21P
Molecular Weight436.49 g/mol
Exact Mass436.14
IUPAC Namepentacyclo[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
SMILESc1ccc(P(c2ccccc2)c2ccc3cc4c5c(cccc5c3c2)-c2ccccc2-4)cc1
InChIInChI=1S/C32H21P/c1-3-10-23(11-4-1)33(24-12-5-2-6-13-24)25-19-18-22-20-31-27-15-8-7-14-26(27)28-16-9-17-29(32(28)31)30(22)21-25/h1-21H
InChIKeyWFBQNTYTZJJWPQ-UHFFFAOYSA-N
XLogP7.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.49
LogP ≤ 57.40
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 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 with MolForge

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Related Compounds

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
(6-benzo[k]fluoranthen-3-ylnaphthalen-2-yl)-diphenylphosphane
CID 144896373
[4-(4-benzo[k]fluoranthen-3-ylnaphthalen-1-yl)phenyl]-diphenylphosphane
CID 144896450
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
hexahelicen-3-yl(diphenyl)phosphane
CID 11730940
diphenyl-[6-(12-phenylbenzo[k]fluoranthen-7-yl)naphthalen-2-yl]phosphane
CID 144896186
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
benzo[k]fluoranthen-3-yl-phenyl-(3-phenylphenyl)phosphane
CID 144896423
[4-(9-oxahexacyclo[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-5-yl)phenyl]-bis(4-phenylphenyl)phosphane
CID 144896297
(9-methylcarbazol-3-yl)-diphenylphosphane
CID 150524387
benzo[a]pyrene;hexacyclo[12.8.0.02,11.03,8.04,21.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaene;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
CID 165012691

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(P(c2ccccc2)c2ccc3cc4c5c(cccc5c3c2)-c2ccccc2-4)cc1.
What is the InChIKey of 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?
The InChIKey is WFBQNTYTZJJWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21P/c1-3-10-23(11-4-1)33(24-12-5-2-6-13-24)25-19-18-22-20-31-27-15-8-7-14-26(27)28-16-9-17-29(32(28)31)30(22)21-25/h1-21H.
What are the key properties of 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?
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 has a molecular weight of 436.49 g/mol, XLogP of 7.40, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 144896334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).