(15,16-diphenyl-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaenyl)phosphane

C28H21P — CID 100929052

IUPAC(15,16-diphenyl-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaenyl)phosphane
SMILESPC12C(c3ccccc3)=C(c3ccccc3)C(c3ccccc31)c1ccccc12
InChIInChI=1S/C28H21P/c29-28-23-17-9-7-15-21(23)26(22-16-8-10-18-24(22)28)25(19-11-3-1-4-12-19)27(28)20-13-5-2-6-14-20/h1-18,26H,29H2
InChIKeyVBZDOIDRDZSTFL-UHFFFAOYSA-N
MW388.45 g/mol
LogP6.88
Rot. Bonds2

About (15,16-diphenyl-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaenyl)phosphane

(15,16-diphenyl-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaenyl)phosphane (PubChem CID 100929052) has the molecular formula C28H21P and a molecular weight of 388.45 g/mol. Its IUPAC name is (15,16-diphenyl-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaenyl)phosphane.

Molecular Properties

Compound Name(15,16-diphenyl-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaenyl)phosphane
PubChem CID100929052
Molecular FormulaC28H21P
Molecular Weight388.45 g/mol
Exact Mass388.14
IUPAC Name(15,16-diphenyl-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaenyl)phosphane
SMILESPC12C(c3ccccc3)=C(c3ccccc3)C(c3ccccc31)c1ccccc12
InChIInChI=1S/C28H21P/c29-28-23-17-9-7-15-21(23)26(22-16-8-10-18-24(22)28)25(19-11-3-1-4-12-19)27(28)20-13-5-2-6-14-20/h1-18,26H,29H2
InChIKeyVBZDOIDRDZSTFL-UHFFFAOYSA-N
XLogP6.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.45
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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4,8b-dimethyl-1,2-diphenyl-2aH-cyclobuta[a]naphthalene
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dichloro(1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl)arsane
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CID 6396046
CID 6396046
1-[bromo(phenyl)methyl]pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene
CID 10526274
1,1'-biphenyl;λ2-stannane;dihydrochloride
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1-(1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenylselanylsulfanylselanyl)pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene
CID 12022631
2,4-diphenyl-6-[11-[4-phenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-1,3,5-triazine
CID 165150876
4,12-diphenyl-8-azaheptacyclo[12.6.6.11,9.02,7.015,20.021,26.013,27]heptacosa-2(7),3,5,9(27),10,12,15,17,19,21,23,25-dodecaene
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Frequently Asked Questions

What is the IUPAC name of (15,16-diphenyl-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaenyl)phosphane?
The IUPAC name of (15,16-diphenyl-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaenyl)phosphane (CID 100929052) is (15,16-diphenyl-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaenyl)phosphane.
What is the SMILES notation for (15,16-diphenyl-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaenyl)phosphane?
The canonical SMILES for (15,16-diphenyl-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaenyl)phosphane is PC12C(c3ccccc3)=C(c3ccccc3)C(c3ccccc31)c1ccccc12.
What is the InChIKey of (15,16-diphenyl-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaenyl)phosphane?
The InChIKey is VBZDOIDRDZSTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21P/c29-28-23-17-9-7-15-21(23)26(22-16-8-10-18-24(22)28)25(19-11-3-1-4-12-19)27(28)20-13-5-2-6-14-20/h1-18,26H,29H2.
What are the key properties of (15,16-diphenyl-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaenyl)phosphane?
(15,16-diphenyl-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaenyl)phosphane has a molecular weight of 388.45 g/mol, XLogP of 6.88, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (15,16-diphenyl-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaenyl)phosphane is sourced from PubChem (CID 100929052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).