(5S)-6-methyl-5-(2-methylphenyl)-2-phenylbenzo[b]phosphindole 5-oxide

C26H21OP — CID 132607145

IUPAC(5S)-6-methyl-5-(2-methylphenyl)-2-phenylbenzo[b]phosphindole 5-oxide
SMILESCc1ccccc1[P@]1(=O)c2ccc(-c3ccccc3)cc2-c2cccc(C)c21
InChIInChI=1S/C26H21OP/c1-18-9-6-7-14-24(18)28(27)25-16-15-21(20-11-4-3-5-12-20)17-23(25)22-13-8-10-19(2)26(22)28/h3-17H,1-2H3/t28-/m0/s1
InChIKeyPUNHZFHIJMXKLT-NDEPHWFRSA-N
MW380.43 g/mol
LogP5.59
Rot. Bonds2

About (5S)-6-methyl-5-(2-methylphenyl)-2-phenylbenzo[b]phosphindole 5-oxide

(5S)-6-methyl-5-(2-methylphenyl)-2-phenylbenzo[b]phosphindole 5-oxide (PubChem CID 132607145) has the molecular formula C26H21OP and a molecular weight of 380.43 g/mol. Its IUPAC name is (5S)-6-methyl-5-(2-methylphenyl)-2-phenylbenzo[b]phosphindole 5-oxide.

Molecular Properties

Compound Name(5S)-6-methyl-5-(2-methylphenyl)-2-phenylbenzo[b]phosphindole 5-oxide
PubChem CID132607145
Molecular FormulaC26H21OP
Molecular Weight380.43 g/mol
Exact Mass380.13
IUPAC Name(5S)-6-methyl-5-(2-methylphenyl)-2-phenylbenzo[b]phosphindole 5-oxide
SMILESCc1ccccc1[P@]1(=O)c2ccc(-c3ccccc3)cc2-c2cccc(C)c21
InChIInChI=1S/C26H21OP/c1-18-9-6-7-14-24(18)28(27)25-16-15-21(20-11-4-3-5-12-20)17-23(25)22-13-8-10-19(2)26(22)28/h3-17H,1-2H3/t28-/m0/s1
InChIKeyPUNHZFHIJMXKLT-NDEPHWFRSA-N
XLogP5.59
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.43
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-2-(2-methylphenyl)-4-(3-phenylphenyl)benzene
CID 143578929
5,10-bis(2-methylphenyl)-12,17-diphenyl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene 1-oxide;5,12-bis(2-methylphenyl)-10,17-diphenyl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene 1-oxide;10,12-bis(2-methylphenyl)-5,17-diphenyl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene 1-oxide
CID 159238777
10,12-bis(2-methylphenyl)-6,16-diphenyl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene 1-oxide
CID 118219928
ethane;1-methyl-2-(3-phenylphenyl)benzene
CID 142541189
1-methyl-2-[4-[3-(4-methylphenyl)phenyl]phenyl]benzene
CID 58892346
1-methyl-2-[4-(4-phenylphenyl)phenyl]benzene
CID 58389745
1-methyl-2-(4-phenylphenyl)benzene
CID 144588078
5-(4-phenylphenyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21,23,25-dodecaene 14-oxide
CID 90070094
1,1'-biphenyl;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene
CID 159346959
1-methyl-2-phenyl-3-(3-phenylphenyl)benzene
CID 59171668
2-methyl-1,3-bis(2-methyl-4-phenylphenyl)benzene
CID 162497500
1-methyl-6-phenyl-9H-fluorene
CID 157259892

Frequently Asked Questions

What is the IUPAC name of (5S)-6-methyl-5-(2-methylphenyl)-2-phenylbenzo[b]phosphindole 5-oxide?
The IUPAC name of (5S)-6-methyl-5-(2-methylphenyl)-2-phenylbenzo[b]phosphindole 5-oxide (CID 132607145) is (5S)-6-methyl-5-(2-methylphenyl)-2-phenylbenzo[b]phosphindole 5-oxide.
What is the SMILES notation for (5S)-6-methyl-5-(2-methylphenyl)-2-phenylbenzo[b]phosphindole 5-oxide?
The canonical SMILES for (5S)-6-methyl-5-(2-methylphenyl)-2-phenylbenzo[b]phosphindole 5-oxide is Cc1ccccc1[P@]1(=O)c2ccc(-c3ccccc3)cc2-c2cccc(C)c21.
What is the InChIKey of (5S)-6-methyl-5-(2-methylphenyl)-2-phenylbenzo[b]phosphindole 5-oxide?
The InChIKey is PUNHZFHIJMXKLT-NDEPHWFRSA-N. The full InChI is InChI=1S/C26H21OP/c1-18-9-6-7-14-24(18)28(27)25-16-15-21(20-11-4-3-5-12-20)17-23(25)22-13-8-10-19(2)26(22)28/h3-17H,1-2H3/t28-/m0/s1.
What are the key properties of (5S)-6-methyl-5-(2-methylphenyl)-2-phenylbenzo[b]phosphindole 5-oxide?
(5S)-6-methyl-5-(2-methylphenyl)-2-phenylbenzo[b]phosphindole 5-oxide has a molecular weight of 380.43 g/mol, XLogP of 5.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-6-methyl-5-(2-methylphenyl)-2-phenylbenzo[b]phosphindole 5-oxide is sourced from PubChem (CID 132607145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).