3,6-dimethoxy-9-[2,3,5,6-tetra(carbazol-9-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazole

C75H48F3N5O2 — CID 167107969

IUPAC3,6-dimethoxy-9-[2,3,5,6-tetra(carbazol-9-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazole
SMILESCOc1ccc2c(c1)c1cc(OC)ccc1n2-c1c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c(-c2cccc(C(F)(F)F)c2)c(-n2c3ccccc3c3ccccc32)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C75H48F3N5O2/c1-84-47-38-40-67-57(43-47)58-44-48(85-2)39-41-68(58)83(67)74-72(81-63-34-15-7-26-53(63)54-27-8-16-35-64(54)81)70(79-59-30-11-3-22-49(59)50-23-4-12-31-60(50)79)69(45-20-19-21-46(42-45)75(76,77)78)71(80-61-32-13-5-24-51(61)52-25-6-14-33-62(52)80)73(74)82-65-36-17-9-28-55(65)56-29-10-18-37-66(56)82/h3-44H,1-2H3
InChIKeyLQISKJHDXKQLEB-UHFFFAOYSA-N
MW1108.24 g/mol
LogP19.88
Rot. Bonds8

About 3,6-dimethoxy-9-[2,3,5,6-tetra(carbazol-9-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazole

3,6-dimethoxy-9-[2,3,5,6-tetra(carbazol-9-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazole (PubChem CID 167107969) has the molecular formula C75H48F3N5O2 and a molecular weight of 1108.24 g/mol. Its IUPAC name is 3,6-dimethoxy-9-[2,3,5,6-tetra(carbazol-9-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name3,6-dimethoxy-9-[2,3,5,6-tetra(carbazol-9-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazole
PubChem CID167107969
Molecular FormulaC75H48F3N5O2
Molecular Weight1108.24 g/mol
Exact Mass1107.38
IUPAC Name3,6-dimethoxy-9-[2,3,5,6-tetra(carbazol-9-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazole
SMILESCOc1ccc2c(c1)c1cc(OC)ccc1n2-c1c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c(-c2cccc(C(F)(F)F)c2)c(-n2c3ccccc3c3ccccc32)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C75H48F3N5O2/c1-84-47-38-40-67-57(43-47)58-44-48(85-2)39-41-68(58)83(67)74-72(81-63-34-15-7-26-53(63)54-27-8-16-35-64(54)81)70(79-59-30-11-3-22-49(59)50-23-4-12-31-60(50)79)69(45-20-19-21-46(42-45)75(76,77)78)71(80-61-32-13-5-24-51(61)52-25-6-14-33-62(52)80)73(74)82-65-36-17-9-28-55(65)56-29-10-18-37-66(56)82/h3-44H,1-2H3
InChIKeyLQISKJHDXKQLEB-UHFFFAOYSA-N
XLogP19.88
TPSA43.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001108.24
LogP ≤ 519.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3,6-dimethoxy-9-[2,3,5,6-tetra(carbazol-9-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethoxy-9-[2,3,5,6-tetra(carbazol-9-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazole?
The IUPAC name of 3,6-dimethoxy-9-[2,3,5,6-tetra(carbazol-9-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazole (CID 167107969) is 3,6-dimethoxy-9-[2,3,5,6-tetra(carbazol-9-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazole.
What is the SMILES notation for 3,6-dimethoxy-9-[2,3,5,6-tetra(carbazol-9-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazole?
The canonical SMILES for 3,6-dimethoxy-9-[2,3,5,6-tetra(carbazol-9-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazole is COc1ccc2c(c1)c1cc(OC)ccc1n2-c1c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c(-c2cccc(C(F)(F)F)c2)c(-n2c3ccccc3c3ccccc32)c1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 3,6-dimethoxy-9-[2,3,5,6-tetra(carbazol-9-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazole?
The InChIKey is LQISKJHDXKQLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H48F3N5O2/c1-84-47-38-40-67-57(43-47)58-44-48(85-2)39-41-68(58)83(67)74-72(81-63-34-15-7-26-53(63)54-27-8-16-35-64(54)81)70(79-59-30-11-3-22-49(59)50-23-4-12-31-60(50)79)69(45-20-19-21-46(42-45)75(76,77)78)71(80-61-32-13-5-24-51(61)52-25-6-14-33-62(52)80)73(74)82-65-36-17-9-28-55(65)56-29-10-18-37-66(56)82/h3-44H,1-2H3.
What are the key properties of 3,6-dimethoxy-9-[2,3,5,6-tetra(carbazol-9-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazole?
3,6-dimethoxy-9-[2,3,5,6-tetra(carbazol-9-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazole has a molecular weight of 1108.24 g/mol, XLogP of 19.88, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethoxy-9-[2,3,5,6-tetra(carbazol-9-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazole is sourced from PubChem (CID 167107969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).