1-[[4-[4-[4-bis(4-methylphenyl)phosphorylphenyl]cyclohexyl]phenyl]-(4-methylphenyl)phosphoryl]-4-methylbenzene

C46H46O2P2 — CID 90141834

IUPAC1-[[4-[4-[4-bis(4-methylphenyl)phosphorylphenyl]cyclohexyl]phenyl]-(4-methylphenyl)phosphoryl]-4-methylbenzene
SMILESCc1ccc(P(=O)(c2ccc(C)cc2)c2ccc(C3CCC(c4ccc(P(=O)(c5ccc(C)cc5)c5ccc(C)cc5)cc4)CC3)cc2)cc1
InChIInChI=1S/C46H46O2P2/c1-33-5-21-41(22-6-33)49(47,42-23-7-34(2)8-24-42)45-29-17-39(18-30-45)37-13-15-38(16-14-37)40-19-31-46(32-20-40)50(48,43-25-9-35(3)10-26-43)44-27-11-36(4)12-28-44/h5-12,17-32,37-38H,13-16H2,1-4H3
InChIKeyFTNFCUGNIWYBSE-UHFFFAOYSA-N
MW692.82 g/mol
LogP9.64
Rot. Bonds8

About 1-[[4-[4-[4-bis(4-methylphenyl)phosphorylphenyl]cyclohexyl]phenyl]-(4-methylphenyl)phosphoryl]-4-methylbenzene

1-[[4-[4-[4-bis(4-methylphenyl)phosphorylphenyl]cyclohexyl]phenyl]-(4-methylphenyl)phosphoryl]-4-methylbenzene (PubChem CID 90141834) has the molecular formula C46H46O2P2 and a molecular weight of 692.82 g/mol. Its IUPAC name is 1-[[4-[4-[4-bis(4-methylphenyl)phosphorylphenyl]cyclohexyl]phenyl]-(4-methylphenyl)phosphoryl]-4-methylbenzene.

Molecular Properties

Compound Name1-[[4-[4-[4-bis(4-methylphenyl)phosphorylphenyl]cyclohexyl]phenyl]-(4-methylphenyl)phosphoryl]-4-methylbenzene
PubChem CID90141834
Molecular FormulaC46H46O2P2
Molecular Weight692.82 g/mol
Exact Mass692.30
IUPAC Name1-[[4-[4-[4-bis(4-methylphenyl)phosphorylphenyl]cyclohexyl]phenyl]-(4-methylphenyl)phosphoryl]-4-methylbenzene
SMILESCc1ccc(P(=O)(c2ccc(C)cc2)c2ccc(C3CCC(c4ccc(P(=O)(c5ccc(C)cc5)c5ccc(C)cc5)cc4)CC3)cc2)cc1
InChIInChI=1S/C46H46O2P2/c1-33-5-21-41(22-6-33)49(47,42-23-7-34(2)8-24-42)45-29-17-39(18-30-45)37-13-15-38(16-14-37)40-19-31-46(32-20-40)50(48,43-25-9-35(3)10-26-43)44-27-11-36(4)12-28-44/h5-12,17-32,37-38H,13-16H2,1-4H3
InChIKeyFTNFCUGNIWYBSE-UHFFFAOYSA-N
XLogP9.64
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.82
LogP ≤ 59.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[[4-[4-[4-bis(4-methylphenyl)phosphorylphenyl]cyclohexyl]phenyl]-(4-methylphenyl)phosphoryl]-4-methylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-4-[4-[4-(4-methylphenyl)cyclohexyl]phenyl]benzene
CID 59265320
1-cyclopropyl-4-methylbenzene;ethane;methane
CID 164862835
1-cyclopropyl-4-methylbenzene;methanol
CID 143290478
1-cyclohexyl-4-(4-methylphenyl)benzene
CID 54213441
nonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),6(46),7,9(45),10(44),11,13(43),14(42),15,17(41),22,24,26,28,30,33,35,37-octadecaene
CID 135033819
bis(1-methyl-4-(4-methylcyclohexyl)benzene);hexakis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);bis(1-methyl-4-(4-methylphenyl)benzene)
CID 157498601
CID 59940181
CID 59940181
1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 20580006
[4-[4-(4-methylphenyl)phenyl]cyclohexyl]methylsilane
CID 123942923
CID 20632431
CID 20632431
4-(4-methylphenyl)oxane
CID 46222621
1-(4-cyclohexylcyclohexyl)-4-methylbenzene;ethane
CID 91432939

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[4-[4-bis(4-methylphenyl)phosphorylphenyl]cyclohexyl]phenyl]-(4-methylphenyl)phosphoryl]-4-methylbenzene?
The IUPAC name of 1-[[4-[4-[4-bis(4-methylphenyl)phosphorylphenyl]cyclohexyl]phenyl]-(4-methylphenyl)phosphoryl]-4-methylbenzene (CID 90141834) is 1-[[4-[4-[4-bis(4-methylphenyl)phosphorylphenyl]cyclohexyl]phenyl]-(4-methylphenyl)phosphoryl]-4-methylbenzene.
What is the SMILES notation for 1-[[4-[4-[4-bis(4-methylphenyl)phosphorylphenyl]cyclohexyl]phenyl]-(4-methylphenyl)phosphoryl]-4-methylbenzene?
The canonical SMILES for 1-[[4-[4-[4-bis(4-methylphenyl)phosphorylphenyl]cyclohexyl]phenyl]-(4-methylphenyl)phosphoryl]-4-methylbenzene is Cc1ccc(P(=O)(c2ccc(C)cc2)c2ccc(C3CCC(c4ccc(P(=O)(c5ccc(C)cc5)c5ccc(C)cc5)cc4)CC3)cc2)cc1.
What is the InChIKey of 1-[[4-[4-[4-bis(4-methylphenyl)phosphorylphenyl]cyclohexyl]phenyl]-(4-methylphenyl)phosphoryl]-4-methylbenzene?
The InChIKey is FTNFCUGNIWYBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H46O2P2/c1-33-5-21-41(22-6-33)49(47,42-23-7-34(2)8-24-42)45-29-17-39(18-30-45)37-13-15-38(16-14-37)40-19-31-46(32-20-40)50(48,43-25-9-35(3)10-26-43)44-27-11-36(4)12-28-44/h5-12,17-32,37-38H,13-16H2,1-4H3.
What are the key properties of 1-[[4-[4-[4-bis(4-methylphenyl)phosphorylphenyl]cyclohexyl]phenyl]-(4-methylphenyl)phosphoryl]-4-methylbenzene?
1-[[4-[4-[4-bis(4-methylphenyl)phosphorylphenyl]cyclohexyl]phenyl]-(4-methylphenyl)phosphoryl]-4-methylbenzene has a molecular weight of 692.82 g/mol, XLogP of 9.64, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[4-[4-bis(4-methylphenyl)phosphorylphenyl]cyclohexyl]phenyl]-(4-methylphenyl)phosphoryl]-4-methylbenzene is sourced from PubChem (CID 90141834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).