9-[4-[diphenyl-[4-[2-(trifluoromethyl)carbazol-9-yl]phenyl]methyl]phenyl]-2-(trifluoromethyl)carbazole

C51H32F6N2 — CID 90277489

IUPAC9-[4-[diphenyl-[4-[2-(trifluoromethyl)carbazol-9-yl]phenyl]methyl]phenyl]-2-(trifluoromethyl)carbazole
SMILESFC(F)(F)c1ccc2c3ccccc3n(-c3ccc(C(c4ccccc4)(c4ccccc4)c4ccc(-n5c6ccccc6c6ccc(C(F)(F)F)cc65)cc4)cc3)c2c1
InChIInChI=1S/C51H32F6N2/c52-50(53,54)37-23-29-43-41-15-7-9-17-45(41)58(47(43)31-37)39-25-19-35(20-26-39)49(33-11-3-1-4-12-33,34-13-5-2-6-14-34)36-21-27-40(28-22-36)59-46-18-10-8-16-42(46)44-30-24-38(32-48(44)59)51(55,56)57/h1-32H
InChIKeyZDUPNSNMTYSJJC-UHFFFAOYSA-N
MW786.82 g/mol
LogP14.30
Rot. Bonds6

About 9-[4-[diphenyl-[4-[2-(trifluoromethyl)carbazol-9-yl]phenyl]methyl]phenyl]-2-(trifluoromethyl)carbazole

9-[4-[diphenyl-[4-[2-(trifluoromethyl)carbazol-9-yl]phenyl]methyl]phenyl]-2-(trifluoromethyl)carbazole (PubChem CID 90277489) has the molecular formula C51H32F6N2 and a molecular weight of 786.82 g/mol. Its IUPAC name is 9-[4-[diphenyl-[4-[2-(trifluoromethyl)carbazol-9-yl]phenyl]methyl]phenyl]-2-(trifluoromethyl)carbazole.

Molecular Properties

Compound Name9-[4-[diphenyl-[4-[2-(trifluoromethyl)carbazol-9-yl]phenyl]methyl]phenyl]-2-(trifluoromethyl)carbazole
PubChem CID90277489
Molecular FormulaC51H32F6N2
Molecular Weight786.82 g/mol
Exact Mass786.25
IUPAC Name9-[4-[diphenyl-[4-[2-(trifluoromethyl)carbazol-9-yl]phenyl]methyl]phenyl]-2-(trifluoromethyl)carbazole
SMILESFC(F)(F)c1ccc2c3ccccc3n(-c3ccc(C(c4ccccc4)(c4ccccc4)c4ccc(-n5c6ccccc6c6ccc(C(F)(F)F)cc65)cc4)cc3)c2c1
InChIInChI=1S/C51H32F6N2/c52-50(53,54)37-23-29-43-41-15-7-9-17-45(41)58(47(43)31-37)39-25-19-35(20-26-39)49(33-11-3-1-4-12-33,34-13-5-2-6-14-34)36-21-27-40(28-22-36)59-46-18-10-8-16-42(46)44-30-24-38(32-48(44)59)51(55,56)57/h1-32H
InChIKeyZDUPNSNMTYSJJC-UHFFFAOYSA-N
XLogP14.30
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500786.82
LogP ≤ 514.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

9-(4-tritylphenyl)carbazole
CID 162500226
9-[4-(trifluoromethyl)phenyl]-3,6-ditritylcarbazole
CID 58479630
[4-(2-methylcarbazol-9-yl)phenyl]-diphenyl-[4-[2-(trifluoromethyl)carbazol-9-yl]phenyl]silane
CID 90275936
2-tert-butyl-9-(4-phenylphenyl)carbazole
CID 122692449
9-phenyl-3-(3-tritylcarbazol-9-yl)carbazole
CID 164756650
9-[3,5-di(carbazol-9-yl)phenyl]-3-tritylcarbazole
CID 59399865
9-(4-bromophenyl)-2-tert-butylcarbazole
CID 142745661
9-[4-[10-[3-(trifluoromethyl)phenyl]anthracen-9-yl]phenyl]carbazole
CID 58163316
3-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]-9-(4-tritylphenyl)carbazole
CID 130231251
2,7-bis(3,6-ditert-butylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 121355698
2-carbazol-9-yl-9-phenylcarbazole
CID 118335086
9-[4-bis[4-[2,7-bis(trifluoromethyl)carbazol-9-yl]phenyl]phosphorylphenyl]-2,7-bis(trifluoromethyl)carbazole
CID 138749634

Frequently Asked Questions

What is the IUPAC name of 9-[4-[diphenyl-[4-[2-(trifluoromethyl)carbazol-9-yl]phenyl]methyl]phenyl]-2-(trifluoromethyl)carbazole?
The IUPAC name of 9-[4-[diphenyl-[4-[2-(trifluoromethyl)carbazol-9-yl]phenyl]methyl]phenyl]-2-(trifluoromethyl)carbazole (CID 90277489) is 9-[4-[diphenyl-[4-[2-(trifluoromethyl)carbazol-9-yl]phenyl]methyl]phenyl]-2-(trifluoromethyl)carbazole.
What is the SMILES notation for 9-[4-[diphenyl-[4-[2-(trifluoromethyl)carbazol-9-yl]phenyl]methyl]phenyl]-2-(trifluoromethyl)carbazole?
The canonical SMILES for 9-[4-[diphenyl-[4-[2-(trifluoromethyl)carbazol-9-yl]phenyl]methyl]phenyl]-2-(trifluoromethyl)carbazole is FC(F)(F)c1ccc2c3ccccc3n(-c3ccc(C(c4ccccc4)(c4ccccc4)c4ccc(-n5c6ccccc6c6ccc(C(F)(F)F)cc65)cc4)cc3)c2c1.
What is the InChIKey of 9-[4-[diphenyl-[4-[2-(trifluoromethyl)carbazol-9-yl]phenyl]methyl]phenyl]-2-(trifluoromethyl)carbazole?
The InChIKey is ZDUPNSNMTYSJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32F6N2/c52-50(53,54)37-23-29-43-41-15-7-9-17-45(41)58(47(43)31-37)39-25-19-35(20-26-39)49(33-11-3-1-4-12-33,34-13-5-2-6-14-34)36-21-27-40(28-22-36)59-46-18-10-8-16-42(46)44-30-24-38(32-48(44)59)51(55,56)57/h1-32H.
What are the key properties of 9-[4-[diphenyl-[4-[2-(trifluoromethyl)carbazol-9-yl]phenyl]methyl]phenyl]-2-(trifluoromethyl)carbazole?
9-[4-[diphenyl-[4-[2-(trifluoromethyl)carbazol-9-yl]phenyl]methyl]phenyl]-2-(trifluoromethyl)carbazole has a molecular weight of 786.82 g/mol, XLogP of 14.30, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[diphenyl-[4-[2-(trifluoromethyl)carbazol-9-yl]phenyl]methyl]phenyl]-2-(trifluoromethyl)carbazole is sourced from PubChem (CID 90277489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).