5-methyl-3-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]benzo[b]phosphindole 5-oxide

C50H34N3OP — CID 176638734

IUPAC5-methyl-3-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]benzo[b]phosphindole 5-oxide
SMILESCP1(=O)c2ccccc2-c2ccc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccc(-c7ccccc7)cc6)n5)cc4)c4ccccc34)cc21
InChIInChI=1S/C50H34N3OP/c1-55(54)46-19-11-10-18-44(46)45-29-28-39(32-47(45)55)41-31-30-40(42-16-8-9-17-43(41)42)35-22-26-38(27-23-35)50-52-48(36-14-6-3-7-15-36)51-49(53-50)37-24-20-34(21-25-37)33-12-4-2-5-13-33/h2-32H,1H3
InChIKeyBHIGCXFRMPCMIS-UHFFFAOYSA-N
MW723.82 g/mol
LogP11.95
Rot. Bonds6

About 5-methyl-3-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]benzo[b]phosphindole 5-oxide

5-methyl-3-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]benzo[b]phosphindole 5-oxide (PubChem CID 176638734) has the molecular formula C50H34N3OP and a molecular weight of 723.82 g/mol. Its IUPAC name is 5-methyl-3-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]benzo[b]phosphindole 5-oxide.

Molecular Properties

Compound Name5-methyl-3-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]benzo[b]phosphindole 5-oxide
PubChem CID176638734
Molecular FormulaC50H34N3OP
Molecular Weight723.82 g/mol
Exact Mass723.24
IUPAC Name5-methyl-3-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]benzo[b]phosphindole 5-oxide
SMILESCP1(=O)c2ccccc2-c2ccc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccc(-c7ccccc7)cc6)n5)cc4)c4ccccc34)cc21
InChIInChI=1S/C50H34N3OP/c1-55(54)46-19-11-10-18-44(46)45-29-28-39(32-47(45)55)41-31-30-40(42-16-8-9-17-43(41)42)35-22-26-38(27-23-35)50-52-48(36-14-6-3-7-15-36)51-49(53-50)37-24-20-34(21-25-37)33-12-4-2-5-13-33/h2-32H,1H3
InChIKeyBHIGCXFRMPCMIS-UHFFFAOYSA-N
XLogP11.95
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500723.82
LogP ≤ 511.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylbenzo[b]phosphindole 5-oxide
CID 176638517
1-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]-5-methylbenzo[b]phosphindole 5-oxide
CID 176638574
5-methyl-3-[4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]naphthalen-2-yl]benzo[b]phosphindole 5-oxide
CID 176638608
5-methyl-1-[4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]naphthalen-1-yl]benzo[b]phosphindole 5-oxide
CID 176638732
5-methyl-2-[10-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]anthracen-9-yl]benzo[b]phosphindole 5-oxide
CID 176638739
2-[4-[3-(6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)phenyl]naphthalen-1-yl]-5-methylbenzo[b]phosphindole 5-oxide
CID 176638737
5-methyl-2-[1-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]naphthalen-2-yl]benzo[b]phosphindole 5-oxide
CID 176638727
2,4-diphenyl-6-[4-[4-(3,5,6-triphenylpyrazin-2-yl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 156562540
2,4-bis(4-fluoranthen-3-ylphenyl)-6-phenyl-1,3,5-triazine
CID 59779624
4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6,10-diphenylphenanthridine
CID 146548291
4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine
CID 146549107
4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine;6,10-diphenyl-4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenanthridine;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,10-diphenylphenanthridine
CID 159557083

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]benzo[b]phosphindole 5-oxide?
The IUPAC name of 5-methyl-3-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]benzo[b]phosphindole 5-oxide (CID 176638734) is 5-methyl-3-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]benzo[b]phosphindole 5-oxide.
What is the SMILES notation for 5-methyl-3-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]benzo[b]phosphindole 5-oxide?
The canonical SMILES for 5-methyl-3-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]benzo[b]phosphindole 5-oxide is CP1(=O)c2ccccc2-c2ccc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccc(-c7ccccc7)cc6)n5)cc4)c4ccccc34)cc21.
What is the InChIKey of 5-methyl-3-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]benzo[b]phosphindole 5-oxide?
The InChIKey is BHIGCXFRMPCMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N3OP/c1-55(54)46-19-11-10-18-44(46)45-29-28-39(32-47(45)55)41-31-30-40(42-16-8-9-17-43(41)42)35-22-26-38(27-23-35)50-52-48(36-14-6-3-7-15-36)51-49(53-50)37-24-20-34(21-25-37)33-12-4-2-5-13-33/h2-32H,1H3.
What are the key properties of 5-methyl-3-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]benzo[b]phosphindole 5-oxide?
5-methyl-3-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]benzo[b]phosphindole 5-oxide has a molecular weight of 723.82 g/mol, XLogP of 11.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]benzo[b]phosphindole 5-oxide is sourced from PubChem (CID 176638734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).