[4-[2-methyl-5-(4-phosphanylphenyl)phenyl]phenyl]phosphane

C19H18P2 — CID 126518534

IUPAC[4-[2-methyl-5-(4-phosphanylphenyl)phenyl]phenyl]phosphane
SMILESCc1ccc(-c2ccc(P)cc2)cc1-c1ccc(P)cc1
InChIInChI=1S/C19H18P2/c1-13-2-3-16(14-4-8-17(20)9-5-14)12-19(13)15-6-10-18(21)11-7-15/h2-12H,20-21H2,1H3
InChIKeyKZZCPPMDVQLXRI-UHFFFAOYSA-N
MW308.30 g/mol
LogP4.33
Rot. Bonds2

About [4-[2-methyl-5-(4-phosphanylphenyl)phenyl]phenyl]phosphane

[4-[2-methyl-5-(4-phosphanylphenyl)phenyl]phenyl]phosphane (PubChem CID 126518534) has the molecular formula C19H18P2 and a molecular weight of 308.30 g/mol. Its IUPAC name is [4-[2-methyl-5-(4-phosphanylphenyl)phenyl]phenyl]phosphane.

Molecular Properties

Compound Name[4-[2-methyl-5-(4-phosphanylphenyl)phenyl]phenyl]phosphane
PubChem CID126518534
Molecular FormulaC19H18P2
Molecular Weight308.30 g/mol
Exact Mass308.09
IUPAC Name[4-[2-methyl-5-(4-phosphanylphenyl)phenyl]phenyl]phosphane
SMILESCc1ccc(-c2ccc(P)cc2)cc1-c1ccc(P)cc1
InChIInChI=1S/C19H18P2/c1-13-2-3-16(14-4-8-17(20)9-5-14)12-19(13)15-6-10-18(21)11-7-15/h2-12H,20-21H2,1H3
InChIKeyKZZCPPMDVQLXRI-UHFFFAOYSA-N
XLogP4.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-(4-methylphenyl)-2-phenylbenzene
CID 18683184
[4-[3-[3,4-bis(phosphanylmethyl)phenyl]-4-methylphenyl]-3-methylphenyl]phosphane;bis([4-[3-[3,4-bis(phosphanylmethyl)phenyl]-5-methylphenyl]phenyl]phosphane);[4-[5-[3,4-bis(phosphanylmethyl)phenyl]-2-methylphenyl]phenyl]phosphane;[4-[3-[3,4-bis(phosphanylmethyl)phenyl]phenyl]phenyl]phosphane
CID 157166145
[2-methyl-4-[4-(2,4,5-trimethylphenyl)phenyl]phenyl]phosphane
CID 160800669
[4-[4-(3,4-dimethylphenyl)-3-methylphenyl]phenyl]phosphane;bis([4-[4-(2,4-dimethylphenyl)phenyl]-3-methylphenyl]phosphane);bis([4-[4-(3,4-dimethylphenyl)phenyl]-2-methylphenyl]phosphane);[4-[4-(2,4-dimethylphenyl)phenyl]phenyl]phosphane;[4-[4-(3,4-dimethylphenyl)phenyl]phenyl]phosphane;[2-methyl-4-[2-methyl-4-(4-methylphenyl)phenyl]phenyl]phosphane;[3-methyl-4-[4-(4-methylphenyl)phenyl]phenyl]phosphane;[4-[2-methyl-4-(4-methylphenyl)phenyl]phenyl]phosphane;[4-[3-methyl-4-(4-methylphenyl)phenyl]phenyl]phosphane
CID 159989978
1-methyl-4-phenyl-2-(4-propylphenyl)benzene
CID 123627409
methane;1-methyl-4-(4-methylphenyl)-2-(2-phenylphenyl)benzene
CID 144583638
methyl N-[4-[3-[4-(methoxycarbonylamino)phenyl]-4-methylphenyl]phenyl]carbamate
CID 101217153
1,6-dimethylazulene
CID 10855725
1-methyl-2-(2-methylphenyl)-4-(3-phenylphenyl)benzene
CID 143578929
1,3-dimethyl-2-(4-methyl-3-phenylphenyl)benzene
CID 168751305
bis([4-(3,4-dimethylphenyl)-2-methylphenyl]phosphane);[4-(3,4-dimethylphenyl)-3-methylphenyl]phosphane;[4-(3,5-dimethylphenyl)-2-methylphenyl]phosphane;[4-(3,5-dimethylphenyl)-3-methylphenyl]phosphane;[4-(2,4-dimethylphenyl)phenyl]phosphane;[4-(3,4-dimethylphenyl)phenyl]phosphane;[2-methyl-4-[2-methyl-4-(4-phosphanylphenyl)phenyl]phenyl]phosphane;[2-methyl-4-[4-(3-methyl-4-phosphanylphenyl)phenyl]phenyl]phosphane;[2-methyl-4-[4-(4-phosphanylphenyl)phenyl]phenyl]phosphane;[4-[2-methyl-4-(4-phosphanylphenyl)phenyl]phenyl]phosphane
CID 158094684
2-methyl-3-[2-methyl-5-(4-methylphenyl)phenyl]naphthalene
CID 144579052

Frequently Asked Questions

What is the IUPAC name of [4-[2-methyl-5-(4-phosphanylphenyl)phenyl]phenyl]phosphane?
The IUPAC name of [4-[2-methyl-5-(4-phosphanylphenyl)phenyl]phenyl]phosphane (CID 126518534) is [4-[2-methyl-5-(4-phosphanylphenyl)phenyl]phenyl]phosphane.
What is the SMILES notation for [4-[2-methyl-5-(4-phosphanylphenyl)phenyl]phenyl]phosphane?
The canonical SMILES for [4-[2-methyl-5-(4-phosphanylphenyl)phenyl]phenyl]phosphane is Cc1ccc(-c2ccc(P)cc2)cc1-c1ccc(P)cc1.
What is the InChIKey of [4-[2-methyl-5-(4-phosphanylphenyl)phenyl]phenyl]phosphane?
The InChIKey is KZZCPPMDVQLXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18P2/c1-13-2-3-16(14-4-8-17(20)9-5-14)12-19(13)15-6-10-18(21)11-7-15/h2-12H,20-21H2,1H3.
What are the key properties of [4-[2-methyl-5-(4-phosphanylphenyl)phenyl]phenyl]phosphane?
[4-[2-methyl-5-(4-phosphanylphenyl)phenyl]phenyl]phosphane has a molecular weight of 308.30 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-methyl-5-(4-phosphanylphenyl)phenyl]phenyl]phosphane is sourced from PubChem (CID 126518534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).