3-[3,5-bis(trifluoromethyl)phenyl]-9-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]carbazole

C68H39F12N5 — CID 138554790

IUPAC3-[3,5-bis(trifluoromethyl)phenyl]-9-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]carbazole
SMILESCc1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2cc(-n3c4ccccc4c4cc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)ccc43)ccc2C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C68H39F12N5/c1-38-28-44(30-46(29-38)65(69,70)71)41-21-26-60-54(33-41)51-17-9-11-19-58(51)85(60)61-27-22-43(64-82-62(39-12-4-2-5-13-39)81-63(83-64)40-14-6-3-7-15-40)35-55(61)52-37-49(23-24-56(52)68(78,79)80)84-57-18-10-8-16-50(57)53-34-42(20-25-59(53)84)45-31-47(66(72,73)74)36-48(32-45)67(75,76)77/h2-37H,1H3
InChIKeyKRRQNLFHZOXRSA-UHFFFAOYSA-N
MW1154.07 g/mol
LogP20.45
Rot. Bonds8

About 3-[3,5-bis(trifluoromethyl)phenyl]-9-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]carbazole

3-[3,5-bis(trifluoromethyl)phenyl]-9-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]carbazole (PubChem CID 138554790) has the molecular formula C68H39F12N5 and a molecular weight of 1154.07 g/mol. Its IUPAC name is 3-[3,5-bis(trifluoromethyl)phenyl]-9-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]carbazole.

Molecular Properties

Compound Name3-[3,5-bis(trifluoromethyl)phenyl]-9-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]carbazole
PubChem CID138554790
Molecular FormulaC68H39F12N5
Molecular Weight1154.07 g/mol
Exact Mass1153.30
IUPAC Name3-[3,5-bis(trifluoromethyl)phenyl]-9-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]carbazole
SMILESCc1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2cc(-n3c4ccccc4c4cc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)ccc43)ccc2C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C68H39F12N5/c1-38-28-44(30-46(29-38)65(69,70)71)41-21-26-60-54(33-41)51-17-9-11-19-58(51)85(60)61-27-22-43(64-82-62(39-12-4-2-5-13-39)81-63(83-64)40-14-6-3-7-15-40)35-55(61)52-37-49(23-24-56(52)68(78,79)80)84-57-18-10-8-16-50(57)53-34-42(20-25-59(53)84)45-31-47(66(72,73)74)36-48(32-45)67(75,76)77/h2-37H,1H3
InChIKeyKRRQNLFHZOXRSA-UHFFFAOYSA-N
XLogP20.45
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms85
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001154.07
LogP ≤ 520.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[3,5-bis(trifluoromethyl)phenyl]-9-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]carbazole with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-bis(trifluoromethyl)phenyl]-9-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]carbazole?
The IUPAC name of 3-[3,5-bis(trifluoromethyl)phenyl]-9-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]carbazole (CID 138554790) is 3-[3,5-bis(trifluoromethyl)phenyl]-9-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]carbazole.
What is the SMILES notation for 3-[3,5-bis(trifluoromethyl)phenyl]-9-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]carbazole?
The canonical SMILES for 3-[3,5-bis(trifluoromethyl)phenyl]-9-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]carbazole is Cc1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2cc(-n3c4ccccc4c4cc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)ccc43)ccc2C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 3-[3,5-bis(trifluoromethyl)phenyl]-9-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]carbazole?
The InChIKey is KRRQNLFHZOXRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H39F12N5/c1-38-28-44(30-46(29-38)65(69,70)71)41-21-26-60-54(33-41)51-17-9-11-19-58(51)85(60)61-27-22-43(64-82-62(39-12-4-2-5-13-39)81-63(83-64)40-14-6-3-7-15-40)35-55(61)52-37-49(23-24-56(52)68(78,79)80)84-57-18-10-8-16-50(57)53-34-42(20-25-59(53)84)45-31-47(66(72,73)74)36-48(32-45)67(75,76)77/h2-37H,1H3.
What are the key properties of 3-[3,5-bis(trifluoromethyl)phenyl]-9-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]carbazole?
3-[3,5-bis(trifluoromethyl)phenyl]-9-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]carbazole has a molecular weight of 1154.07 g/mol, XLogP of 20.45, 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-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]carbazole is sourced from PubChem (CID 138554790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).