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

C99H58F6N8O2 — CID 155233305

IUPAC3-[1-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]-9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2-methylphenyl)carbazole
SMILESCc1ccccc1-c1cc2c(cc1-c1ccc(-c3ccc(-n4c5ccc(C(F)(F)F)cc5c5cc(C(F)(F)F)ccc54)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c3c1oc1ccccc13)c1ccccc1n2-c1ccc(-c2cccc3oc4ccccc4c23)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C99H58F6N8O2/c1-57-23-14-15-32-66(57)74-56-85-77(69-33-16-19-37-80(69)113(85)84-48-41-62(67-36-22-40-88-89(67)71-34-17-20-38-86(71)114-88)51-79(84)97-110-94(60-28-10-4-11-29-60)107-95(111-97)61-30-12-5-13-31-61)55-73(74)70-46-45-68(90-72-35-18-21-39-87(72)115-91(70)90)63-42-47-83(78(52-63)96-108-92(58-24-6-2-7-25-58)106-93(109-96)59-26-8-3-9-27-59)112-81-49-43-64(98(100,101)102)53-75(81)76-54-65(99(103,104)105)44-50-82(76)112/h2-56H,1H3
InChIKeyZNHRTIIDVJWAAJ-UHFFFAOYSA-N
MW1505.59 g/mol
LogP27.07
Rot. Bonds12

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

3-[1-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]-9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2-methylphenyl)carbazole (PubChem CID 155233305) has the molecular formula C99H58F6N8O2 and a molecular weight of 1505.59 g/mol. Its IUPAC name is 3-[1-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]-9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2-methylphenyl)carbazole.

Molecular Properties

Compound Name3-[1-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]-9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2-methylphenyl)carbazole
PubChem CID155233305
Molecular FormulaC99H58F6N8O2
Molecular Weight1505.59 g/mol
Exact Mass1504.46
IUPAC Name3-[1-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]-9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2-methylphenyl)carbazole
SMILESCc1ccccc1-c1cc2c(cc1-c1ccc(-c3ccc(-n4c5ccc(C(F)(F)F)cc5c5cc(C(F)(F)F)ccc54)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c3c1oc1ccccc13)c1ccccc1n2-c1ccc(-c2cccc3oc4ccccc4c23)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C99H58F6N8O2/c1-57-23-14-15-32-66(57)74-56-85-77(69-33-16-19-37-80(69)113(85)84-48-41-62(67-36-22-40-88-89(67)71-34-17-20-38-86(71)114-88)51-79(84)97-110-94(60-28-10-4-11-29-60)107-95(111-97)61-30-12-5-13-31-61)55-73(74)70-46-45-68(90-72-35-18-21-39-87(72)115-91(70)90)63-42-47-83(78(52-63)96-108-92(58-24-6-2-7-25-58)106-93(109-96)59-26-8-3-9-27-59)112-81-49-43-64(98(100,101)102)53-75(81)76-54-65(99(103,104)105)44-50-82(76)112/h2-56H,1H3
InChIKeyZNHRTIIDVJWAAJ-UHFFFAOYSA-N
XLogP27.07
TPSA113.48 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms115
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001505.59
LogP ≤ 527.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]-9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2-methylphenyl)carbazole?
The IUPAC name of 3-[1-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]-9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2-methylphenyl)carbazole (CID 155233305) is 3-[1-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]-9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2-methylphenyl)carbazole.
What is the SMILES notation for 3-[1-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]-9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2-methylphenyl)carbazole?
The canonical SMILES for 3-[1-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]-9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2-methylphenyl)carbazole is Cc1ccccc1-c1cc2c(cc1-c1ccc(-c3ccc(-n4c5ccc(C(F)(F)F)cc5c5cc(C(F)(F)F)ccc54)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c3c1oc1ccccc13)c1ccccc1n2-c1ccc(-c2cccc3oc4ccccc4c23)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 3-[1-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]-9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2-methylphenyl)carbazole?
The InChIKey is ZNHRTIIDVJWAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C99H58F6N8O2/c1-57-23-14-15-32-66(57)74-56-85-77(69-33-16-19-37-80(69)113(85)84-48-41-62(67-36-22-40-88-89(67)71-34-17-20-38-86(71)114-88)51-79(84)97-110-94(60-28-10-4-11-29-60)107-95(111-97)61-30-12-5-13-31-61)55-73(74)70-46-45-68(90-72-35-18-21-39-87(72)115-91(70)90)63-42-47-83(78(52-63)96-108-92(58-24-6-2-7-25-58)106-93(109-96)59-26-8-3-9-27-59)112-81-49-43-64(98(100,101)102)53-75(81)76-54-65(99(103,104)105)44-50-82(76)112/h2-56H,1H3.
What are the key properties of 3-[1-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]-9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2-methylphenyl)carbazole?
3-[1-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]-9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2-methylphenyl)carbazole has a molecular weight of 1505.59 g/mol, XLogP of 27.07, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]-9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2-methylphenyl)carbazole is sourced from PubChem (CID 155233305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).