1-N,3-N,5-N-tris[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]benzene-1,3,5-tricarboxamide

C105H72N3O3P3 — CID 24866234

IUPAC1-N,3-N,5-N-tris[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]benzene-1,3,5-tricarboxamide
SMILESO=C(Nc1ccc2ccccc2c1-c1c(P(c2ccccc2)c2ccccc2)ccc2ccccc12)c1cc(C(=O)Nc2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc(C(=O)Nc2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)c1
InChIInChI=1S/C105H72N3O3P3/c109-103(106-91-61-55-70-31-19-25-49-85(70)97(91)100-88-52-28-22-34-73(88)58-64-94(100)112(79-37-7-1-8-38-79)80-39-9-2-10-40-80)76-67-77(104(110)107-92-62-56-71-32-20-26-50-86(71)98(92)101-89-53-29-23-35-74(89)59-65-95(101)113(81-41-11-3-12-42-81)82-43-13-4-14-44-82)69-78(68-76)105(111)108-93-63-57-72-33-21-27-51-87(72)99(93)102-90-54-30-24-36-75(90)60-66-96(102)114(83-45-15-5-16-46-83)84-47-17-6-18-48-84/h1-69H,(H,106,109)(H,107,110)(H,108,111)
InChIKeyYMBQFZSHSGZGTB-UHFFFAOYSA-N
MW1516.67 g/mol
LogP22.64
Rot. Bonds18

About 1-N,3-N,5-N-tris[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]benzene-1,3,5-tricarboxamide

1-N,3-N,5-N-tris[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]benzene-1,3,5-tricarboxamide (PubChem CID 24866234) has the molecular formula C105H72N3O3P3 and a molecular weight of 1516.67 g/mol. Its IUPAC name is 1-N,3-N,5-N-tris[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]benzene-1,3,5-tricarboxamide.

Molecular Properties

Compound Name1-N,3-N,5-N-tris[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]benzene-1,3,5-tricarboxamide
PubChem CID24866234
Molecular FormulaC105H72N3O3P3
Molecular Weight1516.67 g/mol
Exact Mass1515.48
IUPAC Name1-N,3-N,5-N-tris[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]benzene-1,3,5-tricarboxamide
SMILESO=C(Nc1ccc2ccccc2c1-c1c(P(c2ccccc2)c2ccccc2)ccc2ccccc12)c1cc(C(=O)Nc2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc(C(=O)Nc2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)c1
InChIInChI=1S/C105H72N3O3P3/c109-103(106-91-61-55-70-31-19-25-49-85(70)97(91)100-88-52-28-22-34-73(88)58-64-94(100)112(79-37-7-1-8-38-79)80-39-9-2-10-40-80)76-67-77(104(110)107-92-62-56-71-32-20-26-50-86(71)98(92)101-89-53-29-23-35-74(89)59-65-95(101)113(81-41-11-3-12-42-81)82-43-13-4-14-44-82)69-78(68-76)105(111)108-93-63-57-72-33-21-27-51-87(72)99(93)102-90-54-30-24-36-75(90)60-66-96(102)114(83-45-15-5-16-46-83)84-47-17-6-18-48-84/h1-69H,(H,106,109)(H,107,110)(H,108,111)
InChIKeyYMBQFZSHSGZGTB-UHFFFAOYSA-N
XLogP22.64
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms114
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001516.67
LogP ≤ 522.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-N,3-N,5-N-tris[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]benzene-1,3,5-tricarboxamide 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

methyl N-[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]carbamate
CID 12010727
[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium(1+);acetate
CID 21202945
bis([1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane);bis(rhodium);dihydrate
CID 73162021
carbon monoxide;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;rhodium
CID 139254479
1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]thiourea
CID 53356393
acetic acid;[1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane;ruthenium
CID 121233606
diphenyl-[1-(2-phosphanylnaphthalen-1-yl)naphthalen-2-yl]phosphane
CID 59732549
[1-(2-methylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane
CID 21335175
bis((2S)-2-amino-2-phenylacetic acid);[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium(3+)
CID 53373296
N-[6-bromo-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]benzamide
CID 156768686
1-benzyl-3-[1-[2-bis(3,5-dimethoxyphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]thiourea
CID 53381412
6-diphenylphosphanyl-5-(2-diphenylphosphanyl-6-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 135074802

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N,5-N-tris[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]benzene-1,3,5-tricarboxamide?
The IUPAC name of 1-N,3-N,5-N-tris[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]benzene-1,3,5-tricarboxamide (CID 24866234) is 1-N,3-N,5-N-tris[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]benzene-1,3,5-tricarboxamide.
What is the SMILES notation for 1-N,3-N,5-N-tris[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]benzene-1,3,5-tricarboxamide?
The canonical SMILES for 1-N,3-N,5-N-tris[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]benzene-1,3,5-tricarboxamide is O=C(Nc1ccc2ccccc2c1-c1c(P(c2ccccc2)c2ccccc2)ccc2ccccc12)c1cc(C(=O)Nc2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc(C(=O)Nc2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)c1.
What is the InChIKey of 1-N,3-N,5-N-tris[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]benzene-1,3,5-tricarboxamide?
The InChIKey is YMBQFZSHSGZGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C105H72N3O3P3/c109-103(106-91-61-55-70-31-19-25-49-85(70)97(91)100-88-52-28-22-34-73(88)58-64-94(100)112(79-37-7-1-8-38-79)80-39-9-2-10-40-80)76-67-77(104(110)107-92-62-56-71-32-20-26-50-86(71)98(92)101-89-53-29-23-35-74(89)59-65-95(101)113(81-41-11-3-12-42-81)82-43-13-4-14-44-82)69-78(68-76)105(111)108-93-63-57-72-33-21-27-51-87(72)99(93)102-90-54-30-24-36-75(90)60-66-96(102)114(83-45-15-5-16-46-83)84-47-17-6-18-48-84/h1-69H,(H,106,109)(H,107,110)(H,108,111).
What are the key properties of 1-N,3-N,5-N-tris[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]benzene-1,3,5-tricarboxamide?
1-N,3-N,5-N-tris[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]benzene-1,3,5-tricarboxamide has a molecular weight of 1516.67 g/mol, XLogP of 22.64, 18 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N,5-N-tris[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]benzene-1,3,5-tricarboxamide is sourced from PubChem (CID 24866234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).