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

C101H61F3N8 — CID 162573721

IUPAC3,6-di(carbazol-9-yl)-9-[3-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]carbazole
SMILESFC(F)(F)c1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1-c1cc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)ccc1-n1c2ccc(-n3c4ccccc4c4ccccc43)cc2c2cc(-n3c4ccccc4c4ccccc43)ccc21
InChIInChI=1S/C101H61F3N8/c102-101(103,104)84-49-44-65(111-95-51-45-66(107-87-35-15-7-27-70(87)71-28-8-16-36-88(71)107)57-80(95)81-58-67(46-52-96(81)111)108-89-37-17-9-29-72(89)73-30-10-18-38-90(73)108)56-78(84)79-55-64(100-105-85(62-23-3-1-4-24-62)61-86(106-100)63-25-5-2-6-26-63)43-50-97(79)112-98-53-47-68(109-91-39-19-11-31-74(91)75-32-12-20-40-92(75)109)59-82(98)83-60-69(48-54-99(83)112)110-93-41-21-13-33-76(93)77-34-14-22-42-94(77)110/h1-61H
InChIKeyGJYRCOXUTOBFDH-UHFFFAOYSA-N
MW1443.65 g/mol
LogP26.75
Rot. Bonds10

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

3,6-di(carbazol-9-yl)-9-[3-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]carbazole (PubChem CID 162573721) has the molecular formula C101H61F3N8 and a molecular weight of 1443.65 g/mol. Its IUPAC name is 3,6-di(carbazol-9-yl)-9-[3-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]carbazole.

Molecular Properties

Compound Name3,6-di(carbazol-9-yl)-9-[3-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]carbazole
PubChem CID162573721
Molecular FormulaC101H61F3N8
Molecular Weight1443.65 g/mol
Exact Mass1442.50
IUPAC Name3,6-di(carbazol-9-yl)-9-[3-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]carbazole
SMILESFC(F)(F)c1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1-c1cc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)ccc1-n1c2ccc(-n3c4ccccc4c4ccccc43)cc2c2cc(-n3c4ccccc4c4ccccc43)ccc21
InChIInChI=1S/C101H61F3N8/c102-101(103,104)84-49-44-65(111-95-51-45-66(107-87-35-15-7-27-70(87)71-28-8-16-36-88(71)107)57-80(95)81-58-67(46-52-96(81)111)108-89-37-17-9-29-72(89)73-30-10-18-38-90(73)108)56-78(84)79-55-64(100-105-85(62-23-3-1-4-24-62)61-86(106-100)63-25-5-2-6-26-63)43-50-97(79)112-98-53-47-68(109-91-39-19-11-31-74(91)75-32-12-20-40-92(75)109)59-82(98)83-60-69(48-54-99(83)112)110-93-41-21-13-33-76(93)77-34-14-22-42-94(77)110/h1-61H
InChIKeyGJYRCOXUTOBFDH-UHFFFAOYSA-N
XLogP26.75
TPSA55.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001443.65
LogP ≤ 526.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

9-[3-[2-(3,6-diphenylcarbazol-9-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-4-(trifluoromethyl)phenyl]-3,6-diphenylcarbazole
CID 162573706
9-[2,4-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-3-carbazol-9-ylcarbazole
CID 137421093
2-[9-[3-[2-[3-(2-cyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]carbazol-3-yl]benzonitrile
CID 138554541
2-[9-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(2,4,6-tricyanophenyl)carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]carbazol-3-yl]benzene-1,3,5-tricarbonitrile
CID 138554542
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
3-carbazol-9-yl-9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]carbazole
CID 155447541
3-carbazol-9-yl-9-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole;9-[2-[2-(3,6-diphenylcarbazol-9-yl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3,6-diphenylcarbazole;9-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-phenylcarbazole
CID 159261000
9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-carbazol-9-ylcarbazole
CID 137421301
9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)carbazole
CID 155462877
9-[2-(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 155463257
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(trifluoromethyl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole
CID 170267862
3,6-di(carbazol-9-yl)-9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-3,6-bis(2-methylphenyl)carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-3-(2-methylphenyl)carbazole
CID 159040999

Frequently Asked Questions

What is the IUPAC name of 3,6-di(carbazol-9-yl)-9-[3-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]carbazole?
The IUPAC name of 3,6-di(carbazol-9-yl)-9-[3-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]carbazole (CID 162573721) is 3,6-di(carbazol-9-yl)-9-[3-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]carbazole.
What is the SMILES notation for 3,6-di(carbazol-9-yl)-9-[3-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]carbazole?
The canonical SMILES for 3,6-di(carbazol-9-yl)-9-[3-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]carbazole is FC(F)(F)c1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1-c1cc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)ccc1-n1c2ccc(-n3c4ccccc4c4ccccc43)cc2c2cc(-n3c4ccccc4c4ccccc43)ccc21.
What is the InChIKey of 3,6-di(carbazol-9-yl)-9-[3-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]carbazole?
The InChIKey is GJYRCOXUTOBFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C101H61F3N8/c102-101(103,104)84-49-44-65(111-95-51-45-66(107-87-35-15-7-27-70(87)71-28-8-16-36-88(71)107)57-80(95)81-58-67(46-52-96(81)111)108-89-37-17-9-29-72(89)73-30-10-18-38-90(73)108)56-78(84)79-55-64(100-105-85(62-23-3-1-4-24-62)61-86(106-100)63-25-5-2-6-26-63)43-50-97(79)112-98-53-47-68(109-91-39-19-11-31-74(91)75-32-12-20-40-92(75)109)59-82(98)83-60-69(48-54-99(83)112)110-93-41-21-13-33-76(93)77-34-14-22-42-94(77)110/h1-61H.
What are the key properties of 3,6-di(carbazol-9-yl)-9-[3-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]carbazole?
3,6-di(carbazol-9-yl)-9-[3-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]carbazole has a molecular weight of 1443.65 g/mol, XLogP of 26.75, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-di(carbazol-9-yl)-9-[3-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]carbazole is sourced from PubChem (CID 162573721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).