methylidene-[6-[methylidene-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]-λ5-phosphanyl]-9-phenylcarbazol-3-yl]-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]-λ5-phosphane

C48H37F6NP2 — CID 159892224

IUPACmethylidene-[6-[methylidene-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]-λ5-phosphanyl]-9-phenylcarbazol-3-yl]-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]-λ5-phosphane
SMILESC=P(c1ccc(C)cc1)(c1ccc(C(F)(F)F)cc1)c1ccc2c(c1)c1cc(P(=C)(c3ccc(C)cc3)c3ccc(C(F)(F)F)cc3)ccc1n2-c1ccccc1
InChIInChI=1S/C48H37F6NP2/c1-32-10-18-37(19-11-32)56(3,39-22-14-34(15-23-39)47(49,50)51)41-26-28-45-43(30-41)44-31-42(27-29-46(44)55(45)36-8-6-5-7-9-36)57(4,38-20-12-33(2)13-21-38)40-24-16-35(17-25-40)48(52,53)54/h5-31H,3-4H2,1-2H3
InChIKeyXVNSMJSPRNQEBI-UHFFFAOYSA-N
MW803.77 g/mol
LogP10.89
Rot. Bonds7

About methylidene-[6-[methylidene-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]-λ5-phosphanyl]-9-phenylcarbazol-3-yl]-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]-λ5-phosphane

methylidene-[6-[methylidene-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]-λ5-phosphanyl]-9-phenylcarbazol-3-yl]-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]-λ5-phosphane (PubChem CID 159892224) has the molecular formula C48H37F6NP2 and a molecular weight of 803.77 g/mol. Its IUPAC name is methylidene-[6-[methylidene-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]-λ5-phosphanyl]-9-phenylcarbazol-3-yl]-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]-λ5-phosphane.

Molecular Properties

Compound Namemethylidene-[6-[methylidene-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]-λ5-phosphanyl]-9-phenylcarbazol-3-yl]-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]-λ5-phosphane
PubChem CID159892224
Molecular FormulaC48H37F6NP2
Molecular Weight803.77 g/mol
Exact Mass803.23
IUPAC Namemethylidene-[6-[methylidene-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]-λ5-phosphanyl]-9-phenylcarbazol-3-yl]-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]-λ5-phosphane
SMILESC=P(c1ccc(C)cc1)(c1ccc(C(F)(F)F)cc1)c1ccc2c(c1)c1cc(P(=C)(c3ccc(C)cc3)c3ccc(C(F)(F)F)cc3)ccc1n2-c1ccccc1
InChIInChI=1S/C48H37F6NP2/c1-32-10-18-37(19-11-32)56(3,39-22-14-34(15-23-39)47(49,50)51)41-26-28-45-43(30-41)44-31-42(27-29-46(44)55(45)36-8-6-5-7-9-36)57(4,38-20-12-33(2)13-21-38)40-24-16-35(17-25-40)48(52,53)54/h5-31H,3-4H2,1-2H3
InChIKeyXVNSMJSPRNQEBI-UHFFFAOYSA-N
XLogP10.89
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500803.77
LogP ≤ 510.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9-[4-(trifluoromethyl)phenyl]-3,6-ditritylcarbazole
CID 58479630
1-methyl-4-(trifluoromethyl)benzene;toluene
CID 159876070
3-(4-methylphenyl)-6,9-diphenylcarbazole
CID 90290564
23-(2,6-diphenyl-4-pyridinyl)-19-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene
CID 121345617
9-(4-tert-butylphenyl)-3,6-di(carbazol-9-yl)carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9-phenylcarbazol-3-yl]carbazole;3,6-di(carbazol-9-yl)-9-(4-methylphenyl)carbazole
CID 158450509
6-methyl-1-phenyl-3-[[4-(trifluoromethyl)phenyl]methyl]quinazoline-2,4-dione
CID 123901902
3,6-bis[3,5-bis(3,5-dimethylphenyl)phenyl]-9-phenylcarbazole
CID 170283637
9-[4-(9H-fluoren-3-yl)phenyl]-3-methyl-6-(trifluoromethyl)carbazole
CID 159939100
[6-diphenylphosphoryl-9-(4-diphenylphosphorylphenyl)carbazol-3-yl]-tris(4-methylphenyl)silane
CID 87159620
9-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(3-methylcarbazol-9-yl)phenyl]propan-2-yl]phenyl]-3-methylcarbazole
CID 58939504
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[4-(trifluoromethyl)phenyl]phenyl]-3-methyl-6-(trifluoromethyl)carbazole
CID 162611962
3-[4-[9-[4-(4-methylphenyl)phenyl]carbazol-3-yl]phenyl]-9-phenylcarbazole
CID 121287007

Frequently Asked Questions

What is the IUPAC name of methylidene-[6-[methylidene-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]-λ5-phosphanyl]-9-phenylcarbazol-3-yl]-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]-λ5-phosphane?
The IUPAC name of methylidene-[6-[methylidene-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]-λ5-phosphanyl]-9-phenylcarbazol-3-yl]-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]-λ5-phosphane (CID 159892224) is methylidene-[6-[methylidene-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]-λ5-phosphanyl]-9-phenylcarbazol-3-yl]-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]-λ5-phosphane.
What is the SMILES notation for methylidene-[6-[methylidene-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]-λ5-phosphanyl]-9-phenylcarbazol-3-yl]-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]-λ5-phosphane?
The canonical SMILES for methylidene-[6-[methylidene-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]-λ5-phosphanyl]-9-phenylcarbazol-3-yl]-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]-λ5-phosphane is C=P(c1ccc(C)cc1)(c1ccc(C(F)(F)F)cc1)c1ccc2c(c1)c1cc(P(=C)(c3ccc(C)cc3)c3ccc(C(F)(F)F)cc3)ccc1n2-c1ccccc1.
What is the InChIKey of methylidene-[6-[methylidene-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]-λ5-phosphanyl]-9-phenylcarbazol-3-yl]-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]-λ5-phosphane?
The InChIKey is XVNSMJSPRNQEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H37F6NP2/c1-32-10-18-37(19-11-32)56(3,39-22-14-34(15-23-39)47(49,50)51)41-26-28-45-43(30-41)44-31-42(27-29-46(44)55(45)36-8-6-5-7-9-36)57(4,38-20-12-33(2)13-21-38)40-24-16-35(17-25-40)48(52,53)54/h5-31H,3-4H2,1-2H3.
What are the key properties of methylidene-[6-[methylidene-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]-λ5-phosphanyl]-9-phenylcarbazol-3-yl]-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]-λ5-phosphane?
methylidene-[6-[methylidene-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]-λ5-phosphanyl]-9-phenylcarbazol-3-yl]-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]-λ5-phosphane has a molecular weight of 803.77 g/mol, XLogP of 10.89, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methylidene-[6-[methylidene-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]-λ5-phosphanyl]-9-phenylcarbazol-3-yl]-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]-λ5-phosphane is sourced from PubChem (CID 159892224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).