2,4,5-tri(carbazol-9-yl)-6-[3-[9-[2,3,4,6-tetra(carbazol-9-yl)-5-(trifluoromethyl)phenyl]carbazol-3-yl]carbazol-9-yl]benzene-1,3-dicarbonitrile

C123H70F3N11 — CID 139302869

IUPAC2,4,5-tri(carbazol-9-yl)-6-[3-[9-[2,3,4,6-tetra(carbazol-9-yl)-5-(trifluoromethyl)phenyl]carbazol-3-yl]carbazol-9-yl]benzene-1,3-dicarbonitrile
SMILESN#Cc1c(-n2c3ccccc3c3ccccc32)c(C#N)c(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4c(-n5c6ccccc6c6ccccc65)c(-n5c6ccccc6c6ccccc65)c(-n5c6ccccc6c6ccccc65)c(C(F)(F)F)c4-n4c5ccccc5c5ccccc54)ccc32)c(-n2c3ccccc3c3ccccc32)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C123H70F3N11/c124-123(125,126)113-117(132-99-53-21-5-37-79(99)80-38-6-22-54-100(80)132)120(135-105-59-27-11-43-85(105)86-44-12-28-60-106(86)135)122(136-107-61-29-13-45-87(107)88-46-14-30-62-108(88)136)121(118(113)133-101-55-23-7-39-81(101)82-40-8-24-56-102(82)133)137-110-64-32-16-48-90(110)92-70-74(66-68-112(92)137)73-65-67-111-91(69-73)89-47-15-31-63-109(89)131(111)116-94(72-128)114(129-95-49-17-1-33-75(95)76-34-2-18-50-96(76)129)93(71-127)115(130-97-51-19-3-35-77(97)78-36-4-20-52-98(78)130)119(116)134-103-57-25-9-41-83(103)84-42-10-26-58-104(84)134/h1-70H
InChIKeyXTGZENDTYNMCOF-UHFFFAOYSA-N
MW1758.98 g/mol
LogP31.99
Rot. Bonds10

About 2,4,5-tri(carbazol-9-yl)-6-[3-[9-[2,3,4,6-tetra(carbazol-9-yl)-5-(trifluoromethyl)phenyl]carbazol-3-yl]carbazol-9-yl]benzene-1,3-dicarbonitrile

2,4,5-tri(carbazol-9-yl)-6-[3-[9-[2,3,4,6-tetra(carbazol-9-yl)-5-(trifluoromethyl)phenyl]carbazol-3-yl]carbazol-9-yl]benzene-1,3-dicarbonitrile (PubChem CID 139302869) has the molecular formula C123H70F3N11 and a molecular weight of 1758.98 g/mol. Its IUPAC name is 2,4,5-tri(carbazol-9-yl)-6-[3-[9-[2,3,4,6-tetra(carbazol-9-yl)-5-(trifluoromethyl)phenyl]carbazol-3-yl]carbazol-9-yl]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2,4,5-tri(carbazol-9-yl)-6-[3-[9-[2,3,4,6-tetra(carbazol-9-yl)-5-(trifluoromethyl)phenyl]carbazol-3-yl]carbazol-9-yl]benzene-1,3-dicarbonitrile
PubChem CID139302869
Molecular FormulaC123H70F3N11
Molecular Weight1758.98 g/mol
Exact Mass1757.58
IUPAC Name2,4,5-tri(carbazol-9-yl)-6-[3-[9-[2,3,4,6-tetra(carbazol-9-yl)-5-(trifluoromethyl)phenyl]carbazol-3-yl]carbazol-9-yl]benzene-1,3-dicarbonitrile
SMILESN#Cc1c(-n2c3ccccc3c3ccccc32)c(C#N)c(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4c(-n5c6ccccc6c6ccccc65)c(-n5c6ccccc6c6ccccc65)c(-n5c6ccccc6c6ccccc65)c(C(F)(F)F)c4-n4c5ccccc5c5ccccc54)ccc32)c(-n2c3ccccc3c3ccccc32)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C123H70F3N11/c124-123(125,126)113-117(132-99-53-21-5-37-79(99)80-38-6-22-54-100(80)132)120(135-105-59-27-11-43-85(105)86-44-12-28-60-106(86)135)122(136-107-61-29-13-45-87(107)88-46-14-30-62-108(88)136)121(118(113)133-101-55-23-7-39-81(101)82-40-8-24-56-102(82)133)137-110-64-32-16-48-90(110)92-70-74(66-68-112(92)137)73-65-67-111-91(69-73)89-47-15-31-63-109(89)131(111)116-94(72-128)114(129-95-49-17-1-33-75(95)76-34-2-18-50-96(76)129)93(71-127)115(130-97-51-19-3-35-77(97)78-36-4-20-52-98(78)130)119(116)134-103-57-25-9-41-83(103)84-42-10-26-58-104(84)134/h1-70H
InChIKeyXTGZENDTYNMCOF-UHFFFAOYSA-N
XLogP31.99
TPSA91.95 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms137
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001758.98
LogP ≤ 531.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 2,4,5-tri(carbazol-9-yl)-6-[3-[9-[2,3,4,6-tetra(carbazol-9-yl)-5-(trifluoromethyl)phenyl]carbazol-3-yl]carbazol-9-yl]benzene-1,3-dicarbonitrile with MolForge

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Related Compounds

2,5-di(carbazol-9-yl)-4,6-bis(3,6-diphenylcarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 167015442
3,4-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-5,6-di(carbazol-9-yl)benzene-1,2-dicarbonitrile
CID 137368920
2,4,5,6-tetrakis[2-(trifluoromethyl)carbazol-9-yl]benzene-1,3-dicarbonitrile
CID 146532465
3,6-diphenyl-9-[2,4,5-tris(3,6-diphenylcarbazol-9-yl)-3,6-bis(trifluoromethyl)phenyl]carbazole
CID 118615020
3,5-di(carbazol-9-yl)-2,4,6-tris(3,6-ditert-butylcarbazol-9-yl)benzonitrile
CID 155797997
2,3,5,6-tetra(carbazol-9-yl)-4-[4-(trifluoromethyl)phenyl]benzonitrile
CID 121303123
2,4,6-tris[3-(4-propylphenyl)carbazol-9-yl]benzene-1,3,5-tricarbonitrile
CID 121407143
2,6-di(carbazol-9-yl)-4-(2,6-dimethylphenyl)-3,5-bis(3,6-diphenylcarbazol-9-yl)benzonitrile
CID 146631082
2-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[3-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-cyanophenyl]benzonitrile
CID 138736607
2,3,5,6-tetrakis(3,6-diphenylcarbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile
CID 121312232
2,4-di(carbazol-9-yl)-3,5-difluoro-6-[3-[7-(trifluoromethyl)-9H-carbazol-2-yl]carbazol-9-yl]benzonitrile
CID 146532461
4,5-di(carbazol-9-yl)-6-[3-[9-[2,3-di(carbazol-9-yl)-4,6-dicyano-5-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]carbazol-3-yl]carbazol-9-yl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)benzene-1,3-dicarbonitrile
CID 166855916

Frequently Asked Questions

What is the IUPAC name of 2,4,5-tri(carbazol-9-yl)-6-[3-[9-[2,3,4,6-tetra(carbazol-9-yl)-5-(trifluoromethyl)phenyl]carbazol-3-yl]carbazol-9-yl]benzene-1,3-dicarbonitrile?
The IUPAC name of 2,4,5-tri(carbazol-9-yl)-6-[3-[9-[2,3,4,6-tetra(carbazol-9-yl)-5-(trifluoromethyl)phenyl]carbazol-3-yl]carbazol-9-yl]benzene-1,3-dicarbonitrile (CID 139302869) is 2,4,5-tri(carbazol-9-yl)-6-[3-[9-[2,3,4,6-tetra(carbazol-9-yl)-5-(trifluoromethyl)phenyl]carbazol-3-yl]carbazol-9-yl]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 2,4,5-tri(carbazol-9-yl)-6-[3-[9-[2,3,4,6-tetra(carbazol-9-yl)-5-(trifluoromethyl)phenyl]carbazol-3-yl]carbazol-9-yl]benzene-1,3-dicarbonitrile?
The canonical SMILES for 2,4,5-tri(carbazol-9-yl)-6-[3-[9-[2,3,4,6-tetra(carbazol-9-yl)-5-(trifluoromethyl)phenyl]carbazol-3-yl]carbazol-9-yl]benzene-1,3-dicarbonitrile is N#Cc1c(-n2c3ccccc3c3ccccc32)c(C#N)c(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4c(-n5c6ccccc6c6ccccc65)c(-n5c6ccccc6c6ccccc65)c(-n5c6ccccc6c6ccccc65)c(C(F)(F)F)c4-n4c5ccccc5c5ccccc54)ccc32)c(-n2c3ccccc3c3ccccc32)c1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 2,4,5-tri(carbazol-9-yl)-6-[3-[9-[2,3,4,6-tetra(carbazol-9-yl)-5-(trifluoromethyl)phenyl]carbazol-3-yl]carbazol-9-yl]benzene-1,3-dicarbonitrile?
The InChIKey is XTGZENDTYNMCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C123H70F3N11/c124-123(125,126)113-117(132-99-53-21-5-37-79(99)80-38-6-22-54-100(80)132)120(135-105-59-27-11-43-85(105)86-44-12-28-60-106(86)135)122(136-107-61-29-13-45-87(107)88-46-14-30-62-108(88)136)121(118(113)133-101-55-23-7-39-81(101)82-40-8-24-56-102(82)133)137-110-64-32-16-48-90(110)92-70-74(66-68-112(92)137)73-65-67-111-91(69-73)89-47-15-31-63-109(89)131(111)116-94(72-128)114(129-95-49-17-1-33-75(95)76-34-2-18-50-96(76)129)93(71-127)115(130-97-51-19-3-35-77(97)78-36-4-20-52-98(78)130)119(116)134-103-57-25-9-41-83(103)84-42-10-26-58-104(84)134/h1-70H.
What are the key properties of 2,4,5-tri(carbazol-9-yl)-6-[3-[9-[2,3,4,6-tetra(carbazol-9-yl)-5-(trifluoromethyl)phenyl]carbazol-3-yl]carbazol-9-yl]benzene-1,3-dicarbonitrile?
2,4,5-tri(carbazol-9-yl)-6-[3-[9-[2,3,4,6-tetra(carbazol-9-yl)-5-(trifluoromethyl)phenyl]carbazol-3-yl]carbazol-9-yl]benzene-1,3-dicarbonitrile has a molecular weight of 1758.98 g/mol, XLogP of 31.99, 10 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-tri(carbazol-9-yl)-6-[3-[9-[2,3,4,6-tetra(carbazol-9-yl)-5-(trifluoromethyl)phenyl]carbazol-3-yl]carbazol-9-yl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 139302869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).