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

C77H56F3N5 — CID 139313529

IUPAC3-(3,5-dimethylphenyl)-9-[3-[2-[3-(3,5-dimethylphenyl)carbazol-9-yl]-3-[4-[3-(3,5-dimethylphenyl)carbazol-9-yl]-3-pyridinyl]-5-(trifluoromethyl)phenyl]-4-pyridinyl]carbazole
SMILESCc1cc(C)cc(-c2ccc3c(c2)c2ccccc2n3-c2ccncc2-c2cc(C(F)(F)F)cc(-c3cnccc3-n3c4ccccc4c4cc(-c5cc(C)cc(C)c5)ccc43)c2-n2c3ccccc3c3cc(-c4cc(C)cc(C)c4)ccc32)c1
InChIInChI=1S/C77H56F3N5/c1-45-29-46(2)33-54(32-45)51-19-22-71-61(38-51)58-13-7-10-16-68(58)83(71)74-25-27-81-43-66(74)64-41-57(77(78,79)80)42-65(76(64)85-70-18-12-9-15-60(70)63-40-53(21-24-73(63)85)56-36-49(5)31-50(6)37-56)67-44-82-28-26-75(67)84-69-17-11-8-14-59(69)62-39-52(20-23-72(62)84)55-34-47(3)30-48(4)35-55/h7-44H,1-6H3
InChIKeyXQDDBGCJBSTIBA-UHFFFAOYSA-N
MW1108.32 g/mol
LogP20.97
Rot. Bonds8

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

3-(3,5-dimethylphenyl)-9-[3-[2-[3-(3,5-dimethylphenyl)carbazol-9-yl]-3-[4-[3-(3,5-dimethylphenyl)carbazol-9-yl]-3-pyridinyl]-5-(trifluoromethyl)phenyl]-4-pyridinyl]carbazole (PubChem CID 139313529) has the molecular formula C77H56F3N5 and a molecular weight of 1108.32 g/mol. Its IUPAC name is 3-(3,5-dimethylphenyl)-9-[3-[2-[3-(3,5-dimethylphenyl)carbazol-9-yl]-3-[4-[3-(3,5-dimethylphenyl)carbazol-9-yl]-3-pyridinyl]-5-(trifluoromethyl)phenyl]-4-pyridinyl]carbazole.

Molecular Properties

Compound Name3-(3,5-dimethylphenyl)-9-[3-[2-[3-(3,5-dimethylphenyl)carbazol-9-yl]-3-[4-[3-(3,5-dimethylphenyl)carbazol-9-yl]-3-pyridinyl]-5-(trifluoromethyl)phenyl]-4-pyridinyl]carbazole
PubChem CID139313529
Molecular FormulaC77H56F3N5
Molecular Weight1108.32 g/mol
Exact Mass1107.45
IUPAC Name3-(3,5-dimethylphenyl)-9-[3-[2-[3-(3,5-dimethylphenyl)carbazol-9-yl]-3-[4-[3-(3,5-dimethylphenyl)carbazol-9-yl]-3-pyridinyl]-5-(trifluoromethyl)phenyl]-4-pyridinyl]carbazole
SMILESCc1cc(C)cc(-c2ccc3c(c2)c2ccccc2n3-c2ccncc2-c2cc(C(F)(F)F)cc(-c3cnccc3-n3c4ccccc4c4cc(-c5cc(C)cc(C)c5)ccc43)c2-n2c3ccccc3c3cc(-c4cc(C)cc(C)c4)ccc32)c1
InChIInChI=1S/C77H56F3N5/c1-45-29-46(2)33-54(32-45)51-19-22-71-61(38-51)58-13-7-10-16-68(58)83(71)74-25-27-81-43-66(74)64-41-57(77(78,79)80)42-65(76(64)85-70-18-12-9-15-60(70)63-40-53(21-24-73(63)85)56-36-49(5)31-50(6)37-56)67-44-82-28-26-75(67)84-69-17-11-8-14-59(69)62-39-52(20-23-72(62)84)55-34-47(3)30-48(4)35-55/h7-44H,1-6H3
InChIKeyXQDDBGCJBSTIBA-UHFFFAOYSA-N
XLogP20.97
TPSA40.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001108.32
LogP ≤ 520.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(3,5-dimethylphenyl)-9-[3-[2-[3-(3,5-dimethylphenyl)carbazol-9-yl]-3-[4-[3-(3,5-dimethylphenyl)carbazol-9-yl]-3-pyridinyl]-5-(trifluoromethyl)phenyl]-4-pyridinyl]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenyl)-9-[3-[2-[3-(3,5-dimethylphenyl)carbazol-9-yl]-3-[4-[3-(3,5-dimethylphenyl)carbazol-9-yl]-3-pyridinyl]-5-(trifluoromethyl)phenyl]-4-pyridinyl]carbazole?
The IUPAC name of 3-(3,5-dimethylphenyl)-9-[3-[2-[3-(3,5-dimethylphenyl)carbazol-9-yl]-3-[4-[3-(3,5-dimethylphenyl)carbazol-9-yl]-3-pyridinyl]-5-(trifluoromethyl)phenyl]-4-pyridinyl]carbazole (CID 139313529) is 3-(3,5-dimethylphenyl)-9-[3-[2-[3-(3,5-dimethylphenyl)carbazol-9-yl]-3-[4-[3-(3,5-dimethylphenyl)carbazol-9-yl]-3-pyridinyl]-5-(trifluoromethyl)phenyl]-4-pyridinyl]carbazole.
What is the SMILES notation for 3-(3,5-dimethylphenyl)-9-[3-[2-[3-(3,5-dimethylphenyl)carbazol-9-yl]-3-[4-[3-(3,5-dimethylphenyl)carbazol-9-yl]-3-pyridinyl]-5-(trifluoromethyl)phenyl]-4-pyridinyl]carbazole?
The canonical SMILES for 3-(3,5-dimethylphenyl)-9-[3-[2-[3-(3,5-dimethylphenyl)carbazol-9-yl]-3-[4-[3-(3,5-dimethylphenyl)carbazol-9-yl]-3-pyridinyl]-5-(trifluoromethyl)phenyl]-4-pyridinyl]carbazole is Cc1cc(C)cc(-c2ccc3c(c2)c2ccccc2n3-c2ccncc2-c2cc(C(F)(F)F)cc(-c3cnccc3-n3c4ccccc4c4cc(-c5cc(C)cc(C)c5)ccc43)c2-n2c3ccccc3c3cc(-c4cc(C)cc(C)c4)ccc32)c1.
What is the InChIKey of 3-(3,5-dimethylphenyl)-9-[3-[2-[3-(3,5-dimethylphenyl)carbazol-9-yl]-3-[4-[3-(3,5-dimethylphenyl)carbazol-9-yl]-3-pyridinyl]-5-(trifluoromethyl)phenyl]-4-pyridinyl]carbazole?
The InChIKey is XQDDBGCJBSTIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H56F3N5/c1-45-29-46(2)33-54(32-45)51-19-22-71-61(38-51)58-13-7-10-16-68(58)83(71)74-25-27-81-43-66(74)64-41-57(77(78,79)80)42-65(76(64)85-70-18-12-9-15-60(70)63-40-53(21-24-73(63)85)56-36-49(5)31-50(6)37-56)67-44-82-28-26-75(67)84-69-17-11-8-14-59(69)62-39-52(20-23-72(62)84)55-34-47(3)30-48(4)35-55/h7-44H,1-6H3.
What are the key properties of 3-(3,5-dimethylphenyl)-9-[3-[2-[3-(3,5-dimethylphenyl)carbazol-9-yl]-3-[4-[3-(3,5-dimethylphenyl)carbazol-9-yl]-3-pyridinyl]-5-(trifluoromethyl)phenyl]-4-pyridinyl]carbazole?
3-(3,5-dimethylphenyl)-9-[3-[2-[3-(3,5-dimethylphenyl)carbazol-9-yl]-3-[4-[3-(3,5-dimethylphenyl)carbazol-9-yl]-3-pyridinyl]-5-(trifluoromethyl)phenyl]-4-pyridinyl]carbazole has a molecular weight of 1108.32 g/mol, XLogP of 20.97, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenyl)-9-[3-[2-[3-(3,5-dimethylphenyl)carbazol-9-yl]-3-[4-[3-(3,5-dimethylphenyl)carbazol-9-yl]-3-pyridinyl]-5-(trifluoromethyl)phenyl]-4-pyridinyl]carbazole is sourced from PubChem (CID 139313529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).