(2,7-ditert-butylfluoren-9-ylidene)-(2,4,6-tritert-butylphenyl)phosphane

C39H53P — CID 15821264

IUPAC(2,7-ditert-butylfluoren-9-ylidene)-(2,4,6-tritert-butylphenyl)phosphane
SMILESCC(C)(C)c1ccc2c(c1)C(=Pc1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C)c1cc(C(C)(C)C)ccc1-2
InChIInChI=1S/C39H53P/c1-35(2,3)24-16-18-27-28-19-17-25(36(4,5)6)21-30(28)33(29(27)20-24)40-34-31(38(10,11)12)22-26(37(7,8)9)23-32(34)39(13,14)15/h16-23H,1-15H3
InChIKeyYMLFAJILFRGKQR-UHFFFAOYSA-N
MW552.83 g/mol
LogP10.99
Rot. Bonds1

About (2,7-ditert-butylfluoren-9-ylidene)-(2,4,6-tritert-butylphenyl)phosphane

(2,7-ditert-butylfluoren-9-ylidene)-(2,4,6-tritert-butylphenyl)phosphane (PubChem CID 15821264) has the molecular formula C39H53P and a molecular weight of 552.83 g/mol. Its IUPAC name is (2,7-ditert-butylfluoren-9-ylidene)-(2,4,6-tritert-butylphenyl)phosphane.

Molecular Properties

Compound Name(2,7-ditert-butylfluoren-9-ylidene)-(2,4,6-tritert-butylphenyl)phosphane
PubChem CID15821264
Molecular FormulaC39H53P
Molecular Weight552.83 g/mol
Exact Mass552.39
IUPAC Name(2,7-ditert-butylfluoren-9-ylidene)-(2,4,6-tritert-butylphenyl)phosphane
SMILESCC(C)(C)c1ccc2c(c1)C(=Pc1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C)c1cc(C(C)(C)C)ccc1-2
InChIInChI=1S/C39H53P/c1-35(2,3)24-16-18-27-28-19-17-25(36(4,5)6)21-30(28)33(29(27)20-24)40-34-31(38(10,11)12)22-26(37(7,8)9)23-32(34)39(13,14)15/h16-23H,1-15H3
InChIKeyYMLFAJILFRGKQR-UHFFFAOYSA-N
XLogP10.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.83
LogP ≤ 510.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,10-ditert-butyltetraphenylene
CID 159208403
2,4-ditert-butyl-1-[2-[2-(2,4-ditert-butylphenyl)phenyl]phenyl]benzene;phosphonous acid
CID 68656808
fluoren-9-ylidenemethylidene-(2,4,6-tritert-butylphenyl)phosphane
CID 102303473
[4-tert-butyl-2-(2,4-ditert-butylphenyl)phenyl]-(2,4-ditert-butylphenyl)-trihydroxy-λ5-phosphane
CID 66803662
1,4-ditert-butyl-2-(2-phenylphenyl)benzene
CID 174563257
1-(2,4-ditert-butylphenyl)biphenylene;phosphorous acid
CID 174967149
(2,4,6-tritert-butylphenyl)-[[4-[(2,4,6-tritert-butylphenyl)phosphanylidenemethyl]phenyl]methylidene]phosphane
CID 15803042
1,2-bis(2,4-ditert-butylphenyl)-4-phenylbenzene
CID 141103881
phenyl-(2,4,6-tritert-butylphenyl)phosphanylidenephosphane
CID 13086218
bis(2,4-ditert-butylphenyl)-trihydroxy-λ5-phosphane
CID 57116453
bromomethylidene-(2,4,6-tritert-butylphenyl)phosphane
CID 11003156
[2,3-bis(4-methoxyphenyl)-4-(2,4,6-tritert-butylphenyl)phosphanylidenecyclobut-2-en-1-ylidene]-(2,4,6-tritert-butylphenyl)phosphane
CID 11389161

Frequently Asked Questions

What is the IUPAC name of (2,7-ditert-butylfluoren-9-ylidene)-(2,4,6-tritert-butylphenyl)phosphane?
The IUPAC name of (2,7-ditert-butylfluoren-9-ylidene)-(2,4,6-tritert-butylphenyl)phosphane (CID 15821264) is (2,7-ditert-butylfluoren-9-ylidene)-(2,4,6-tritert-butylphenyl)phosphane.
What is the SMILES notation for (2,7-ditert-butylfluoren-9-ylidene)-(2,4,6-tritert-butylphenyl)phosphane?
The canonical SMILES for (2,7-ditert-butylfluoren-9-ylidene)-(2,4,6-tritert-butylphenyl)phosphane is CC(C)(C)c1ccc2c(c1)C(=Pc1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C)c1cc(C(C)(C)C)ccc1-2.
What is the InChIKey of (2,7-ditert-butylfluoren-9-ylidene)-(2,4,6-tritert-butylphenyl)phosphane?
The InChIKey is YMLFAJILFRGKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H53P/c1-35(2,3)24-16-18-27-28-19-17-25(36(4,5)6)21-30(28)33(29(27)20-24)40-34-31(38(10,11)12)22-26(37(7,8)9)23-32(34)39(13,14)15/h16-23H,1-15H3.
What are the key properties of (2,7-ditert-butylfluoren-9-ylidene)-(2,4,6-tritert-butylphenyl)phosphane?
(2,7-ditert-butylfluoren-9-ylidene)-(2,4,6-tritert-butylphenyl)phosphane has a molecular weight of 552.83 g/mol, XLogP of 10.99, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,7-ditert-butylfluoren-9-ylidene)-(2,4,6-tritert-butylphenyl)phosphane is sourced from PubChem (CID 15821264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).