(15,22-diphenyl-6-hexacyclo[11.10.1.03,8.09,24.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaenyl)-bis(4-phenylphenyl)phosphanium

C60H40P+ — CID 144896317

IUPAC(15,22-diphenyl-6-hexacyclo[11.10.1.03,8.09,24.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaenyl)-bis(4-phenylphenyl)phosphanium
SMILESc1ccc(-c2ccc([PH+](c3ccc(-c4ccccc4)cc3)c3ccc4cc5c6c(cccc6c4c3)-c3c-5c(-c4ccccc4)c4ccccc4c3-c3ccccc3)cc2)cc1
InChIInChI=1S/C60H39P/c1-5-16-40(17-6-1)42-28-33-47(34-29-42)61(48-35-30-43(31-36-48)41-18-7-2-8-19-41)49-37-32-46-38-55-58-52(54(46)39-49)26-15-27-53(58)59-56(44-20-9-3-10-21-44)50-24-13-14-25-51(50)57(60(55)59)45-22-11-4-12-23-45/h1-39H/p+1
InChIKeyXOLMYFMOVNZPEQ-UHFFFAOYSA-O
MW791.95 g/mol
LogP14.95
Rot. Bonds7

About (15,22-diphenyl-6-hexacyclo[11.10.1.03,8.09,24.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaenyl)-bis(4-phenylphenyl)phosphanium

(15,22-diphenyl-6-hexacyclo[11.10.1.03,8.09,24.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaenyl)-bis(4-phenylphenyl)phosphanium (PubChem CID 144896317) has the molecular formula C60H40P+ and a molecular weight of 791.95 g/mol. Its IUPAC name is (15,22-diphenyl-6-hexacyclo[11.10.1.03,8.09,24.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaenyl)-bis(4-phenylphenyl)phosphanium.

Molecular Properties

Compound Name(15,22-diphenyl-6-hexacyclo[11.10.1.03,8.09,24.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaenyl)-bis(4-phenylphenyl)phosphanium
PubChem CID144896317
Molecular FormulaC60H40P+
Molecular Weight791.95 g/mol
Exact Mass791.29
IUPAC Name(15,22-diphenyl-6-hexacyclo[11.10.1.03,8.09,24.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaenyl)-bis(4-phenylphenyl)phosphanium
SMILESc1ccc(-c2ccc([PH+](c3ccc(-c4ccccc4)cc3)c3ccc4cc5c6c(cccc6c4c3)-c3c-5c(-c4ccccc4)c4ccccc4c3-c3ccccc3)cc2)cc1
InChIInChI=1S/C60H39P/c1-5-16-40(17-6-1)42-28-33-47(34-29-42)61(48-35-30-43(31-36-48)41-18-7-2-8-19-41)49-37-32-46-38-55-58-52(54(46)39-49)26-15-27-53(58)59-56(44-20-9-3-10-21-44)50-24-13-14-25-51(50)57(60(55)59)45-22-11-4-12-23-45/h1-39H/p+1
InChIKeyXOLMYFMOVNZPEQ-UHFFFAOYSA-O
XLogP14.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.95
LogP ≤ 514.95
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 (15,22-diphenyl-6-hexacyclo[11.10.1.03,8.09,24.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaenyl)-bis(4-phenylphenyl)phosphanium with MolForge

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Related Compounds

19-naphthalen-1-yl-15,22-diphenylhexacyclo[11.10.1.03,8.09,24.014,23.016,21]tetracosa-1,3,5,7,9(24),10,12,14,16(21),17,19,22-dodecaene
CID 58309805
19-phenanthren-9-yl-15,22-bis(3-phenylphenyl)hexacyclo[11.10.1.03,8.09,24.014,23.016,21]tetracosa-1,3,5,7,9(24),10,12,14,16(21),17,19,22-dodecaene
CID 58309751
12-phenyl-7-(4-phenylphenyl)-4-[12-phenyl-7-(4-phenylphenyl)benzo[k]fluoranthen-4-yl]benzo[k]fluoranthene
CID 58988853
19-iodo-15,22-diphenylhexacyclo[11.10.1.03,8.09,24.014,23.016,21]tetracosa-1,3,5,7,9(24),10,12,14,16(21),17,19,22-dodecaene
CID 163500447
3-(4-naphthalen-2-ylphenyl)-7,12-diphenylbenzo[k]fluoranthene
CID 140717774
3-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-7,12-diphenylbenzo[k]fluoranthene
CID 58988736
9-[4-(9,10-diphenylanthracen-2-yl)phenyl]-7,12-diphenylbenzo[k]fluoranthene
CID 58535154
7,12-diphenyl-3-[3-(4-phenylphenyl)phenyl]benzo[k]fluoranthene;ethane
CID 143739700
1-(15,22-diphenyl-18-hexacyclo[11.10.1.03,8.09,24.014,23.016,21]tetracosa-1,3,5,7,9(24),10,12,14,16(21),17,19,22-dodecaenyl)isoquinoline
CID 58309797
3-[9,10-diphenyl-7,12-bis(4-phenylphenyl)benzo[k]fluoranthen-3-yl]-9,10-diphenyl-7,12-bis(4-phenylphenyl)benzo[k]fluoranthene
CID 58988857
5-[4-(9,10-diphenylanthracen-2-yl)phenyl]-7,12-diphenylbenzo[k]fluoranthene
CID 58535151
3-[9,10-diphenyl-7,12-bis(4-phenylphenyl)benzo[k]fluoranthen-3-yl]-9,10-diphenyl-7,12-bis(4-phenylphenyl)benzo[k]fluoranthene;7-naphthalen-1-yl-12-naphthalen-2-yl-3-(7-naphthalen-1-yl-12-naphthalen-2-ylbenzo[k]fluoranthen-3-yl)benzo[k]fluoranthene;9,10,12-triphenyl-7-(4-phenylphenyl)-4-[9,10,12-triphenyl-7-(4-phenylphenyl)benzo[k]fluoranthen-4-yl]benzo[k]fluoranthene
CID 162198422

Frequently Asked Questions

What is the IUPAC name of (15,22-diphenyl-6-hexacyclo[11.10.1.03,8.09,24.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaenyl)-bis(4-phenylphenyl)phosphanium?
The IUPAC name of (15,22-diphenyl-6-hexacyclo[11.10.1.03,8.09,24.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaenyl)-bis(4-phenylphenyl)phosphanium (CID 144896317) is (15,22-diphenyl-6-hexacyclo[11.10.1.03,8.09,24.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaenyl)-bis(4-phenylphenyl)phosphanium.
What is the SMILES notation for (15,22-diphenyl-6-hexacyclo[11.10.1.03,8.09,24.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaenyl)-bis(4-phenylphenyl)phosphanium?
The canonical SMILES for (15,22-diphenyl-6-hexacyclo[11.10.1.03,8.09,24.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaenyl)-bis(4-phenylphenyl)phosphanium is c1ccc(-c2ccc([PH+](c3ccc(-c4ccccc4)cc3)c3ccc4cc5c6c(cccc6c4c3)-c3c-5c(-c4ccccc4)c4ccccc4c3-c3ccccc3)cc2)cc1.
What is the InChIKey of (15,22-diphenyl-6-hexacyclo[11.10.1.03,8.09,24.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaenyl)-bis(4-phenylphenyl)phosphanium?
The InChIKey is XOLMYFMOVNZPEQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C60H39P/c1-5-16-40(17-6-1)42-28-33-47(34-29-42)61(48-35-30-43(31-36-48)41-18-7-2-8-19-41)49-37-32-46-38-55-58-52(54(46)39-49)26-15-27-53(58)59-56(44-20-9-3-10-21-44)50-24-13-14-25-51(50)57(60(55)59)45-22-11-4-12-23-45/h1-39H/p+1.
What are the key properties of (15,22-diphenyl-6-hexacyclo[11.10.1.03,8.09,24.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaenyl)-bis(4-phenylphenyl)phosphanium?
(15,22-diphenyl-6-hexacyclo[11.10.1.03,8.09,24.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaenyl)-bis(4-phenylphenyl)phosphanium has a molecular weight of 791.95 g/mol, XLogP of 14.95, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (15,22-diphenyl-6-hexacyclo[11.10.1.03,8.09,24.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaenyl)-bis(4-phenylphenyl)phosphanium is sourced from PubChem (CID 144896317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).