triphenyl-[2-[2-(6-phenyl-5H-benzo[b]carbazol-11-yl)ethynyl]phenyl]imino-λ5-phosphane

C48H33N2P — CID 24767181

IUPACtriphenyl-[2-[2-(6-phenyl-5H-benzo[b]carbazol-11-yl)ethynyl]phenyl]imino-λ5-phosphane
SMILESC(#Cc1c2ccccc2c(-c2ccccc2)c2[nH]c3ccccc3c12)c1ccccc1N=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C48H33N2P/c1-5-20-36(21-6-1)46-41-29-15-14-28-40(41)42(47-43-30-16-18-32-45(43)49-48(46)47)34-33-35-19-13-17-31-44(35)50-51(37-22-7-2-8-23-37,38-24-9-3-10-25-38)39-26-11-4-12-27-39/h1-32,49H
InChIKeySBPVKRDKLLMJQJ-UHFFFAOYSA-N
MW668.78 g/mol
LogP11.35
Rot. Bonds5

About triphenyl-[2-[2-(6-phenyl-5H-benzo[b]carbazol-11-yl)ethynyl]phenyl]imino-λ5-phosphane

triphenyl-[2-[2-(6-phenyl-5H-benzo[b]carbazol-11-yl)ethynyl]phenyl]imino-λ5-phosphane (PubChem CID 24767181) has the molecular formula C48H33N2P and a molecular weight of 668.78 g/mol. Its IUPAC name is triphenyl-[2-[2-(6-phenyl-5H-benzo[b]carbazol-11-yl)ethynyl]phenyl]imino-λ5-phosphane.

Molecular Properties

Compound Nametriphenyl-[2-[2-(6-phenyl-5H-benzo[b]carbazol-11-yl)ethynyl]phenyl]imino-λ5-phosphane
PubChem CID24767181
Molecular FormulaC48H33N2P
Molecular Weight668.78 g/mol
Exact Mass668.24
IUPAC Nametriphenyl-[2-[2-(6-phenyl-5H-benzo[b]carbazol-11-yl)ethynyl]phenyl]imino-λ5-phosphane
SMILESC(#Cc1c2ccccc2c(-c2ccccc2)c2[nH]c3ccccc3c12)c1ccccc1N=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C48H33N2P/c1-5-20-36(21-6-1)46-41-29-15-14-28-40(41)42(47-43-30-16-18-32-45(43)49-48(46)47)34-33-35-19-13-17-31-44(35)50-51(37-22-7-2-8-23-37,38-24-9-3-10-25-38)39-26-11-4-12-27-39/h1-32,49H
InChIKeySBPVKRDKLLMJQJ-UHFFFAOYSA-N
XLogP11.35
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.78
LogP ≤ 511.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triphenyl-[2-[2-(6-phenyl-5H-benzo[b]carbazol-11-yl)ethynyl]phenyl]imino-λ5-phosphane?
The IUPAC name of triphenyl-[2-[2-(6-phenyl-5H-benzo[b]carbazol-11-yl)ethynyl]phenyl]imino-λ5-phosphane (CID 24767181) is triphenyl-[2-[2-(6-phenyl-5H-benzo[b]carbazol-11-yl)ethynyl]phenyl]imino-λ5-phosphane.
What is the SMILES notation for triphenyl-[2-[2-(6-phenyl-5H-benzo[b]carbazol-11-yl)ethynyl]phenyl]imino-λ5-phosphane?
The canonical SMILES for triphenyl-[2-[2-(6-phenyl-5H-benzo[b]carbazol-11-yl)ethynyl]phenyl]imino-λ5-phosphane is C(#Cc1c2ccccc2c(-c2ccccc2)c2[nH]c3ccccc3c12)c1ccccc1N=P(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of triphenyl-[2-[2-(6-phenyl-5H-benzo[b]carbazol-11-yl)ethynyl]phenyl]imino-λ5-phosphane?
The InChIKey is SBPVKRDKLLMJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N2P/c1-5-20-36(21-6-1)46-41-29-15-14-28-40(41)42(47-43-30-16-18-32-45(43)49-48(46)47)34-33-35-19-13-17-31-44(35)50-51(37-22-7-2-8-23-37,38-24-9-3-10-25-38)39-26-11-4-12-27-39/h1-32,49H.
What are the key properties of triphenyl-[2-[2-(6-phenyl-5H-benzo[b]carbazol-11-yl)ethynyl]phenyl]imino-λ5-phosphane?
triphenyl-[2-[2-(6-phenyl-5H-benzo[b]carbazol-11-yl)ethynyl]phenyl]imino-λ5-phosphane has a molecular weight of 668.78 g/mol, XLogP of 11.35, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-[2-[2-(6-phenyl-5H-benzo[b]carbazol-11-yl)ethynyl]phenyl]imino-λ5-phosphane is sourced from PubChem (CID 24767181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).