3-[3,5-bis(trifluoromethyl)phenyl]-9-[3-[2-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-[4-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-pyridinyl]-5-(trifluoromethyl)phenyl]-4-pyridinyl]carbazole

C77H38F21N5 — CID 139313536

IUPAC3-[3,5-bis(trifluoromethyl)phenyl]-9-[3-[2-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-[4-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-pyridinyl]-5-(trifluoromethyl)phenyl]-4-pyridinyl]carbazole
SMILESFC(F)(F)c1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccncc2-c2cc(C(F)(F)F)cc(-c3cnccc3-n3c4ccccc4c4cc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)ccc43)c2-n2c3ccccc3c3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc32)cc(C(F)(F)F)c1
InChIInChI=1S/C77H38F21N5/c78-71(79,80)45-23-42(24-46(32-45)72(81,82)83)39-13-16-65-55(29-39)52-7-1-4-10-62(52)101(65)68-19-21-99-37-60(68)58-35-51(77(96,97)98)36-59(70(58)103-64-12-6-3-9-54(64)57-31-41(15-18-67(57)103)44-27-49(75(90,91)92)34-50(28-44)76(93,94)95)61-38-100-22-20-69(61)102-63-11-5-2-8-53(63)56-30-40(14-17-66(56)102)43-25-47(73(84,85)86)33-48(26-43)74(87,88)89/h1-38H
InChIKeyNPVAFIBANXKONF-UHFFFAOYSA-N
MW1432.14 g/mol
LogP25.23
Rot. Bonds8

About 3-[3,5-bis(trifluoromethyl)phenyl]-9-[3-[2-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-[4-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-pyridinyl]-5-(trifluoromethyl)phenyl]-4-pyridinyl]carbazole

3-[3,5-bis(trifluoromethyl)phenyl]-9-[3-[2-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-[4-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-pyridinyl]-5-(trifluoromethyl)phenyl]-4-pyridinyl]carbazole (PubChem CID 139313536) has the molecular formula C77H38F21N5 and a molecular weight of 1432.14 g/mol. Its IUPAC name is 3-[3,5-bis(trifluoromethyl)phenyl]-9-[3-[2-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-[4-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-pyridinyl]-5-(trifluoromethyl)phenyl]-4-pyridinyl]carbazole.

Molecular Properties

Compound Name3-[3,5-bis(trifluoromethyl)phenyl]-9-[3-[2-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-[4-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-pyridinyl]-5-(trifluoromethyl)phenyl]-4-pyridinyl]carbazole
PubChem CID139313536
Molecular FormulaC77H38F21N5
Molecular Weight1432.14 g/mol
Exact Mass1431.28
IUPAC Name3-[3,5-bis(trifluoromethyl)phenyl]-9-[3-[2-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-[4-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-pyridinyl]-5-(trifluoromethyl)phenyl]-4-pyridinyl]carbazole
SMILESFC(F)(F)c1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccncc2-c2cc(C(F)(F)F)cc(-c3cnccc3-n3c4ccccc4c4cc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)ccc43)c2-n2c3ccccc3c3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc32)cc(C(F)(F)F)c1
InChIInChI=1S/C77H38F21N5/c78-71(79,80)45-23-42(24-46(32-45)72(81,82)83)39-13-16-65-55(29-39)52-7-1-4-10-62(52)101(65)68-19-21-99-37-60(68)58-35-51(77(96,97)98)36-59(70(58)103-64-12-6-3-9-54(64)57-31-41(15-18-67(57)103)44-27-49(75(90,91)92)34-50(28-44)76(93,94)95)61-38-100-22-20-69(61)102-63-11-5-2-8-53(63)56-30-40(14-17-66(56)102)43-25-47(73(84,85)86)33-48(26-43)74(87,88)89/h1-38H
InChIKeyNPVAFIBANXKONF-UHFFFAOYSA-N
XLogP25.23
TPSA40.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms103
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001432.14
LogP ≤ 525.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[3,5-bis(trifluoromethyl)phenyl]-9-[3-[2-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-[4-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-pyridinyl]-5-(trifluoromethyl)phenyl]-4-pyridinyl]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-[3,5-bis(trifluoromethyl)phenyl]-9-[3-[2-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-[4-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-pyridinyl]-5-(trifluoromethyl)phenyl]-4-pyridinyl]carbazole?
The IUPAC name of 3-[3,5-bis(trifluoromethyl)phenyl]-9-[3-[2-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-[4-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-pyridinyl]-5-(trifluoromethyl)phenyl]-4-pyridinyl]carbazole (CID 139313536) is 3-[3,5-bis(trifluoromethyl)phenyl]-9-[3-[2-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-[4-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-pyridinyl]-5-(trifluoromethyl)phenyl]-4-pyridinyl]carbazole.
What is the SMILES notation for 3-[3,5-bis(trifluoromethyl)phenyl]-9-[3-[2-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-[4-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-pyridinyl]-5-(trifluoromethyl)phenyl]-4-pyridinyl]carbazole?
The canonical SMILES for 3-[3,5-bis(trifluoromethyl)phenyl]-9-[3-[2-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-[4-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-pyridinyl]-5-(trifluoromethyl)phenyl]-4-pyridinyl]carbazole is FC(F)(F)c1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccncc2-c2cc(C(F)(F)F)cc(-c3cnccc3-n3c4ccccc4c4cc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)ccc43)c2-n2c3ccccc3c3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc32)cc(C(F)(F)F)c1.
What is the InChIKey of 3-[3,5-bis(trifluoromethyl)phenyl]-9-[3-[2-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-[4-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-pyridinyl]-5-(trifluoromethyl)phenyl]-4-pyridinyl]carbazole?
The InChIKey is NPVAFIBANXKONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H38F21N5/c78-71(79,80)45-23-42(24-46(32-45)72(81,82)83)39-13-16-65-55(29-39)52-7-1-4-10-62(52)101(65)68-19-21-99-37-60(68)58-35-51(77(96,97)98)36-59(70(58)103-64-12-6-3-9-54(64)57-31-41(15-18-67(57)103)44-27-49(75(90,91)92)34-50(28-44)76(93,94)95)61-38-100-22-20-69(61)102-63-11-5-2-8-53(63)56-30-40(14-17-66(56)102)43-25-47(73(84,85)86)33-48(26-43)74(87,88)89/h1-38H.
What are the key properties of 3-[3,5-bis(trifluoromethyl)phenyl]-9-[3-[2-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-[4-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-pyridinyl]-5-(trifluoromethyl)phenyl]-4-pyridinyl]carbazole?
3-[3,5-bis(trifluoromethyl)phenyl]-9-[3-[2-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-[4-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-pyridinyl]-5-(trifluoromethyl)phenyl]-4-pyridinyl]carbazole has a molecular weight of 1432.14 g/mol, XLogP of 25.23, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-bis(trifluoromethyl)phenyl]-9-[3-[2-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-[4-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-pyridinyl]-5-(trifluoromethyl)phenyl]-4-pyridinyl]carbazole is sourced from PubChem (CID 139313536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).