2,4,6-tritert-butyl-N-(2,4,6-tritert-butylphenyl)-N-(2,4,6-tritert-butylphenyl)phosphanylidenephosphanylaniline

C54H87NP2 — CID 134886122

IUPAC2,4,6-tritert-butyl-N-(2,4,6-tritert-butylphenyl)-N-(2,4,6-tritert-butylphenyl)phosphanylidenephosphanylaniline
SMILESCC(C)(C)c1cc(C(C)(C)C)c(/P=P/N(c2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)c2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C54H87NP2/c1-46(2,3)34-28-37(49(10,11)12)43(38(29-34)50(13,14)15)55(44-39(51(16,17)18)30-35(47(4,5)6)31-40(44)52(19,20)21)57-56-45-41(53(22,23)24)32-36(48(7,8)9)33-42(45)54(25,26)27/h28-33H,1-27H3
InChIKeyCBPJOYXNLVIRNU-UHFFFAOYSA-N
MW812.24 g/mol
LogP17.55
Rot. Bonds4

About 2,4,6-tritert-butyl-N-(2,4,6-tritert-butylphenyl)-N-(2,4,6-tritert-butylphenyl)phosphanylidenephosphanylaniline

2,4,6-tritert-butyl-N-(2,4,6-tritert-butylphenyl)-N-(2,4,6-tritert-butylphenyl)phosphanylidenephosphanylaniline (PubChem CID 134886122) has the molecular formula C54H87NP2 and a molecular weight of 812.24 g/mol. Its IUPAC name is 2,4,6-tritert-butyl-N-(2,4,6-tritert-butylphenyl)-N-(2,4,6-tritert-butylphenyl)phosphanylidenephosphanylaniline.

Molecular Properties

Compound Name2,4,6-tritert-butyl-N-(2,4,6-tritert-butylphenyl)-N-(2,4,6-tritert-butylphenyl)phosphanylidenephosphanylaniline
PubChem CID134886122
Molecular FormulaC54H87NP2
Molecular Weight812.24 g/mol
Exact Mass811.63
IUPAC Name2,4,6-tritert-butyl-N-(2,4,6-tritert-butylphenyl)-N-(2,4,6-tritert-butylphenyl)phosphanylidenephosphanylaniline
SMILESCC(C)(C)c1cc(C(C)(C)C)c(/P=P/N(c2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)c2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C54H87NP2/c1-46(2,3)34-28-37(49(10,11)12)43(38(29-34)50(13,14)15)55(44-39(51(16,17)18)30-35(47(4,5)6)31-40(44)52(19,20)21)57-56-45-41(53(22,23)24)32-36(48(7,8)9)33-42(45)54(25,26)27/h28-33H,1-27H3
InChIKeyCBPJOYXNLVIRNU-UHFFFAOYSA-N
XLogP17.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500812.24
LogP ≤ 517.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2,4,6-tritert-butyl-N-(2,4,6-tritert-butylphenyl)-N-(2,4,6-tritert-butylphenyl)phosphanylidenephosphanylaniline 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

phenyl-(2,4,6-tritert-butylphenyl)phosphanylidenephosphane
CID 13086218
N-oxido-N-(2,4,6-tritert-butylphenyl)hydroxylamine
CID 163168730
bromomethylidene-(2,4,6-tritert-butylphenyl)phosphane
CID 11003156
(2,4,6-tritert-butylphenyl)-(trimethylsilylmethylidene)phosphane
CID 12776595
(2,4,6-tritert-butylphenyl)-[4-(2,4,6-tritert-butylphenyl)phosphanylidenebutylidene]phosphane
CID 101184918
terbium;bis(1,3,5-tritert-butylbenzene)
CID 134902614
(2,4,6-tritert-butylphenyl)-[[4-[(2,4,6-tritert-butylphenyl)phosphanylidenemethyl]phenyl]methylidene]phosphane
CID 15803042
benzene;carbon monoxide;(2,4,6-tritert-butylphenyl)phosphanylideneosmium
CID 134984450
1,2,3,5-tetratert-butylbenzene
CID 18679123
bis(2,4,6-trimethylphenyl)silylidene-(2,4,6-tritert-butylphenyl)phosphane
CID 13172407
(2,7-ditert-butylfluoren-9-ylidene)-(2,4,6-tritert-butylphenyl)phosphane
CID 15821264
[(2S,3R)-2-tert-butyl-3-[(1S,2S)-2-tert-butyl-3,4-bis[(2,4,6-tritert-butylphenyl)phosphanylidene]cyclobutyl]-4-(2,4,6-tritert-butylphenyl)phosphanylidenecyclobutylidene]-(2,4,6-tritert-butylphenyl)phosphane
CID 100918214

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tritert-butyl-N-(2,4,6-tritert-butylphenyl)-N-(2,4,6-tritert-butylphenyl)phosphanylidenephosphanylaniline?
The IUPAC name of 2,4,6-tritert-butyl-N-(2,4,6-tritert-butylphenyl)-N-(2,4,6-tritert-butylphenyl)phosphanylidenephosphanylaniline (CID 134886122) is 2,4,6-tritert-butyl-N-(2,4,6-tritert-butylphenyl)-N-(2,4,6-tritert-butylphenyl)phosphanylidenephosphanylaniline.
What is the SMILES notation for 2,4,6-tritert-butyl-N-(2,4,6-tritert-butylphenyl)-N-(2,4,6-tritert-butylphenyl)phosphanylidenephosphanylaniline?
The canonical SMILES for 2,4,6-tritert-butyl-N-(2,4,6-tritert-butylphenyl)-N-(2,4,6-tritert-butylphenyl)phosphanylidenephosphanylaniline is CC(C)(C)c1cc(C(C)(C)C)c(/P=P/N(c2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)c2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)c(C(C)(C)C)c1.
What is the InChIKey of 2,4,6-tritert-butyl-N-(2,4,6-tritert-butylphenyl)-N-(2,4,6-tritert-butylphenyl)phosphanylidenephosphanylaniline?
The InChIKey is CBPJOYXNLVIRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H87NP2/c1-46(2,3)34-28-37(49(10,11)12)43(38(29-34)50(13,14)15)55(44-39(51(16,17)18)30-35(47(4,5)6)31-40(44)52(19,20)21)57-56-45-41(53(22,23)24)32-36(48(7,8)9)33-42(45)54(25,26)27/h28-33H,1-27H3.
What are the key properties of 2,4,6-tritert-butyl-N-(2,4,6-tritert-butylphenyl)-N-(2,4,6-tritert-butylphenyl)phosphanylidenephosphanylaniline?
2,4,6-tritert-butyl-N-(2,4,6-tritert-butylphenyl)-N-(2,4,6-tritert-butylphenyl)phosphanylidenephosphanylaniline has a molecular weight of 812.24 g/mol, XLogP of 17.55, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tritert-butyl-N-(2,4,6-tritert-butylphenyl)-N-(2,4,6-tritert-butylphenyl)phosphanylidenephosphanylaniline is sourced from PubChem (CID 134886122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).