(10,10-diiodo-14-phosphanyl-21-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaenyl)phosphane

C21H14I2P2 — CID 163548439

IUPAC(10,10-diiodo-14-phosphanyl-21-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaenyl)phosphane
SMILESPc1c2ccccc2c(P)c2cc3c(cc12)-c1ccccc1C3(I)I
InChIInChI=1S/C21H14I2P2/c22-21(23)17-8-4-3-5-11(17)14-9-15-16(10-18(14)21)20(25)13-7-2-1-6-12(13)19(15)24/h1-10H,24-25H2
InChIKeyFHADBQBQGQTNTH-UHFFFAOYSA-N
MW582.10 g/mol
LogP6.05
Rot. Bonds

About (10,10-diiodo-14-phosphanyl-21-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaenyl)phosphane

(10,10-diiodo-14-phosphanyl-21-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaenyl)phosphane (PubChem CID 163548439) has the molecular formula C21H14I2P2 and a molecular weight of 582.10 g/mol. Its IUPAC name is (10,10-diiodo-14-phosphanyl-21-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaenyl)phosphane.

Molecular Properties

Compound Name(10,10-diiodo-14-phosphanyl-21-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaenyl)phosphane
PubChem CID163548439
Molecular FormulaC21H14I2P2
Molecular Weight582.10 g/mol
Exact Mass581.87
IUPAC Name(10,10-diiodo-14-phosphanyl-21-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaenyl)phosphane
SMILESPc1c2ccccc2c(P)c2cc3c(cc12)-c1ccccc1C3(I)I
InChIInChI=1S/C21H14I2P2/c22-21(23)17-8-4-3-5-11(17)14-9-15-16(10-18(14)21)20(25)13-7-2-1-6-12(13)19(15)24/h1-10H,24-25H2
InChIKeyFHADBQBQGQTNTH-UHFFFAOYSA-N
XLogP6.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.10
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze (10,10-diiodo-14-phosphanyl-21-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaenyl)phosphane with MolForge

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Related Compounds

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CID 146875620
spiro[5H-indeno[1,2-b]carbazole-11,9'-fluorene]
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spiro[5H-indeno[2,1-b]carbazole-7,9'-fluorene]
CID 66804950
spiro[26-oxaheptacyclo[21.2.1.05,25.06,18.08,16.09,14.019,24]hexacosa-1,3,5(25),6,8(16),9,11,13,17,19(24),20,22-dodecaene-15,9'-fluorene]
CID 166096305
11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene
CID 66805182
14',21'-bis(3,5-diphenylphenyl)spiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene]
CID 58175351
28,28-dimethyloctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1,3(16),4,6,8,10,12,14,17,19,21(29),22,24,26,30-pentadecaene
CID 157108235
5-iodo-7,7-dimethylbenzo[c]fluorene
CID 144938890
19'-(3,5-diphenylphenyl)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene]
CID 158550157
20'-(3-triphenylen-2-ylphenyl)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene]
CID 159754407
4-bromospiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]
CID 134528270
CID 101127293
CID 101127293

Frequently Asked Questions

What is the IUPAC name of (10,10-diiodo-14-phosphanyl-21-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaenyl)phosphane?
The IUPAC name of (10,10-diiodo-14-phosphanyl-21-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaenyl)phosphane (CID 163548439) is (10,10-diiodo-14-phosphanyl-21-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaenyl)phosphane.
What is the SMILES notation for (10,10-diiodo-14-phosphanyl-21-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaenyl)phosphane?
The canonical SMILES for (10,10-diiodo-14-phosphanyl-21-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaenyl)phosphane is Pc1c2ccccc2c(P)c2cc3c(cc12)-c1ccccc1C3(I)I.
What is the InChIKey of (10,10-diiodo-14-phosphanyl-21-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaenyl)phosphane?
The InChIKey is FHADBQBQGQTNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14I2P2/c22-21(23)17-8-4-3-5-11(17)14-9-15-16(10-18(14)21)20(25)13-7-2-1-6-12(13)19(15)24/h1-10H,24-25H2.
What are the key properties of (10,10-diiodo-14-phosphanyl-21-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaenyl)phosphane?
(10,10-diiodo-14-phosphanyl-21-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaenyl)phosphane has a molecular weight of 582.10 g/mol, XLogP of 6.05, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (10,10-diiodo-14-phosphanyl-21-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaenyl)phosphane is sourced from PubChem (CID 163548439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).