[4-[11,12-bis(4-fluorophenyl)-6-(4-phosphanylphenyl)tetracen-5-yl]phenyl]phosphane

C42H28F2P2 — CID 89166315

IUPAC[4-[11,12-bis(4-fluorophenyl)-6-(4-phosphanylphenyl)tetracen-5-yl]phenyl]phosphane
SMILESFc1ccc(-c2c3ccccc3c(-c3ccc(P)cc3)c3c(-c4ccc(P)cc4)c4ccccc4c(-c4ccc(F)cc4)c23)cc1
InChIInChI=1S/C42H28F2P2/c43-29-17-9-25(10-18-29)37-33-5-1-3-7-35(33)39(27-13-21-31(45)22-14-27)42-40(28-15-23-32(46)24-16-28)36-8-4-2-6-34(36)38(41(37)42)26-11-19-30(44)20-12-26/h1-24H,45-46H2
InChIKeyFDURSEBXKMSJKC-UHFFFAOYSA-N
MW632.63 g/mol
LogP11.09
Rot. Bonds4

About [4-[11,12-bis(4-fluorophenyl)-6-(4-phosphanylphenyl)tetracen-5-yl]phenyl]phosphane

[4-[11,12-bis(4-fluorophenyl)-6-(4-phosphanylphenyl)tetracen-5-yl]phenyl]phosphane (PubChem CID 89166315) has the molecular formula C42H28F2P2 and a molecular weight of 632.63 g/mol. Its IUPAC name is [4-[11,12-bis(4-fluorophenyl)-6-(4-phosphanylphenyl)tetracen-5-yl]phenyl]phosphane.

Molecular Properties

Compound Name[4-[11,12-bis(4-fluorophenyl)-6-(4-phosphanylphenyl)tetracen-5-yl]phenyl]phosphane
PubChem CID89166315
Molecular FormulaC42H28F2P2
Molecular Weight632.63 g/mol
Exact Mass632.16
IUPAC Name[4-[11,12-bis(4-fluorophenyl)-6-(4-phosphanylphenyl)tetracen-5-yl]phenyl]phosphane
SMILESFc1ccc(-c2c3ccccc3c(-c3ccc(P)cc3)c3c(-c4ccc(P)cc4)c4ccccc4c(-c4ccc(F)cc4)c23)cc1
InChIInChI=1S/C42H28F2P2/c43-29-17-9-25(10-18-29)37-33-5-1-3-7-35(33)39(27-13-21-31(45)22-14-27)42-40(28-15-23-32(46)24-16-28)36-8-4-2-6-34(36)38(41(37)42)26-11-19-30(44)20-12-26/h1-24H,45-46H2
InChIKeyFDURSEBXKMSJKC-UHFFFAOYSA-N
XLogP11.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.63
LogP ≤ 511.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[11,12-bis(4-fluorophenyl)-6-(4-phosphanylphenyl)tetracen-5-yl]phenyl]phosphane?
The IUPAC name of [4-[11,12-bis(4-fluorophenyl)-6-(4-phosphanylphenyl)tetracen-5-yl]phenyl]phosphane (CID 89166315) is [4-[11,12-bis(4-fluorophenyl)-6-(4-phosphanylphenyl)tetracen-5-yl]phenyl]phosphane.
What is the SMILES notation for [4-[11,12-bis(4-fluorophenyl)-6-(4-phosphanylphenyl)tetracen-5-yl]phenyl]phosphane?
The canonical SMILES for [4-[11,12-bis(4-fluorophenyl)-6-(4-phosphanylphenyl)tetracen-5-yl]phenyl]phosphane is Fc1ccc(-c2c3ccccc3c(-c3ccc(P)cc3)c3c(-c4ccc(P)cc4)c4ccccc4c(-c4ccc(F)cc4)c23)cc1.
What is the InChIKey of [4-[11,12-bis(4-fluorophenyl)-6-(4-phosphanylphenyl)tetracen-5-yl]phenyl]phosphane?
The InChIKey is FDURSEBXKMSJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28F2P2/c43-29-17-9-25(10-18-29)37-33-5-1-3-7-35(33)39(27-13-21-31(45)22-14-27)42-40(28-15-23-32(46)24-16-28)36-8-4-2-6-34(36)38(41(37)42)26-11-19-30(44)20-12-26/h1-24H,45-46H2.
What are the key properties of [4-[11,12-bis(4-fluorophenyl)-6-(4-phosphanylphenyl)tetracen-5-yl]phenyl]phosphane?
[4-[11,12-bis(4-fluorophenyl)-6-(4-phosphanylphenyl)tetracen-5-yl]phenyl]phosphane has a molecular weight of 632.63 g/mol, XLogP of 11.09, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[11,12-bis(4-fluorophenyl)-6-(4-phosphanylphenyl)tetracen-5-yl]phenyl]phosphane is sourced from PubChem (CID 89166315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).