triphenyl-(3-phenylcyclohepta[b]pyrrol-8-yl)imino-lambda5-phosphane

C33H25N2P — CID 11167544

IUPACtriphenyl-(3-phenylcyclohepta[b]pyrrol-8-yl)imino-lambda5-phosphane
SMILESc1ccc(-c2cnc3c(N=P(c4ccccc4)(c4ccccc4)c4ccccc4)ccccc2-3)cc1
InChIInChI=1S/C33H25N2P/c1-5-15-26(16-6-1)31-25-34-33-30(31)23-13-14-24-32(33)35-36(27-17-7-2-8-18-27,28-19-9-3-10-20-28)29-21-11-4-12-22-29/h1-25H
InChIKeyUXJRBZXWQPCDDQ-UHFFFAOYSA-N
MW480.55 g/mol
LogP7.66
Rot. Bonds5

About triphenyl-(3-phenylcyclohepta[b]pyrrol-8-yl)imino-lambda5-phosphane

triphenyl-(3-phenylcyclohepta[b]pyrrol-8-yl)imino-lambda5-phosphane (PubChem CID 11167544) has the molecular formula C33H25N2P and a molecular weight of 480.55 g/mol. Its IUPAC name is triphenyl-(3-phenylcyclohepta[b]pyrrol-8-yl)imino-lambda5-phosphane.

Molecular Properties

Compound Nametriphenyl-(3-phenylcyclohepta[b]pyrrol-8-yl)imino-lambda5-phosphane
PubChem CID11167544
Molecular FormulaC33H25N2P
Molecular Weight480.55 g/mol
Exact Mass480.18
IUPAC Nametriphenyl-(3-phenylcyclohepta[b]pyrrol-8-yl)imino-lambda5-phosphane
SMILESc1ccc(-c2cnc3c(N=P(c4ccccc4)(c4ccccc4)c4ccccc4)ccccc2-3)cc1
InChIInChI=1S/C33H25N2P/c1-5-15-26(16-6-1)31-25-34-33-30(31)23-13-14-24-32(33)35-36(27-17-7-2-8-18-27,28-19-9-3-10-20-28)29-21-11-4-12-22-29/h1-25H
InChIKeyUXJRBZXWQPCDDQ-UHFFFAOYSA-N
XLogP7.66
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.55
LogP ≤ 57.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

triphenyl-[2-[5-[2-[(triphenyl-λ5-phosphanylidene)amino]phenyl]-1H-pyrrol-2-yl]phenyl]imino-λ5-phosphane
CID 10876446
1,5-bis[(triphenyl-λ5-phosphanylidene)amino]anthracene-9,10-dione
CID 15579044
1,4,5,8-tetraphenyl-2,6-naphthyridine
CID 13154164
triphenyl-[4-(4-phenylphenyl)phenyl]imino-λ5-phosphane
CID 101426516
2-phenyl-4-(2-phenylphenyl)-5-[2-phenyl-4-(2-phenylphenyl)pyrimidin-5-yl]pyrimidine
CID 58947716
2-[2-[(triphenyl-lambda5-phosphanylidene)amino]phenyl]-3,1-benzoxazin-4-one
CID 602972
iridium;1-(2-methanidylphenyl)-4-phenylisoquinoline
CID 155609024
2-phenyl-3-[(triphenyl-lambda5-phosphanylidene)amino]phenalen-1-one
CID 2780900
2-bromo-4,5-diphenylpyridine
CID 118667529
azanium 2-phenylphenolate
CID 70290125
1-[methyl(phenyl)phosphoryl]-2-phenylbenzene
CID 44633937
4,5,6,7-tetraphenyl-1,10-phenanthroline
CID 165388681

Frequently Asked Questions

What is the IUPAC name of triphenyl-(3-phenylcyclohepta[b]pyrrol-8-yl)imino-lambda5-phosphane?
The IUPAC name of triphenyl-(3-phenylcyclohepta[b]pyrrol-8-yl)imino-lambda5-phosphane (CID 11167544) is triphenyl-(3-phenylcyclohepta[b]pyrrol-8-yl)imino-lambda5-phosphane.
What is the SMILES notation for triphenyl-(3-phenylcyclohepta[b]pyrrol-8-yl)imino-lambda5-phosphane?
The canonical SMILES for triphenyl-(3-phenylcyclohepta[b]pyrrol-8-yl)imino-lambda5-phosphane is c1ccc(-c2cnc3c(N=P(c4ccccc4)(c4ccccc4)c4ccccc4)ccccc2-3)cc1.
What is the InChIKey of triphenyl-(3-phenylcyclohepta[b]pyrrol-8-yl)imino-lambda5-phosphane?
The InChIKey is UXJRBZXWQPCDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25N2P/c1-5-15-26(16-6-1)31-25-34-33-30(31)23-13-14-24-32(33)35-36(27-17-7-2-8-18-27,28-19-9-3-10-20-28)29-21-11-4-12-22-29/h1-25H.
What are the key properties of triphenyl-(3-phenylcyclohepta[b]pyrrol-8-yl)imino-lambda5-phosphane?
triphenyl-(3-phenylcyclohepta[b]pyrrol-8-yl)imino-lambda5-phosphane has a molecular weight of 480.55 g/mol, XLogP of 7.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-(3-phenylcyclohepta[b]pyrrol-8-yl)imino-lambda5-phosphane is sourced from PubChem (CID 11167544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).