3-[4-[5-(2-cyanophenyl)-2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile

C71H47N7 — CID 174169518

IUPAC3-[4-[5-(2-cyanophenyl)-2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile
SMILESCC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1ccc(C#N)cc1-c1nc(-c2ccccc2)nc(-c2cc(-c3ccccc3C#N)ccc2-n2c3ccccc3c3c4c(ccc32)-c2ccccc2C4(C)C)n1
InChIInChI=1S/C71H47N7/c1-70(2)55-26-14-10-22-47(55)49-32-36-61-63(65(49)70)51-24-12-16-28-57(51)77(61)59-34-30-42(40-72)38-53(59)68-74-67(43-18-6-5-7-19-43)75-69(76-68)54-39-44(46-21-9-8-20-45(46)41-73)31-35-60(54)78-58-29-17-13-25-52(58)64-62(78)37-33-50-48-23-11-15-27-56(48)71(3,4)66(50)64/h5-39H,1-4H3
InChIKeyBKMNYHADGOULDA-UHFFFAOYSA-N
MW998.21 g/mol
LogP17.09
Rot. Bonds6

About 3-[4-[5-(2-cyanophenyl)-2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile

3-[4-[5-(2-cyanophenyl)-2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile (PubChem CID 174169518) has the molecular formula C71H47N7 and a molecular weight of 998.21 g/mol. Its IUPAC name is 3-[4-[5-(2-cyanophenyl)-2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile.

Molecular Properties

Compound Name3-[4-[5-(2-cyanophenyl)-2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile
PubChem CID174169518
Molecular FormulaC71H47N7
Molecular Weight998.21 g/mol
Exact Mass997.39
IUPAC Name3-[4-[5-(2-cyanophenyl)-2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile
SMILESCC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1ccc(C#N)cc1-c1nc(-c2ccccc2)nc(-c2cc(-c3ccccc3C#N)ccc2-n2c3ccccc3c3c4c(ccc32)-c2ccccc2C4(C)C)n1
InChIInChI=1S/C71H47N7/c1-70(2)55-26-14-10-22-47(55)49-32-36-61-63(65(49)70)51-24-12-16-28-57(51)77(61)59-34-30-42(40-72)38-53(59)68-74-67(43-18-6-5-7-19-43)75-69(76-68)54-39-44(46-21-9-8-20-45(46)41-73)31-35-60(54)78-58-29-17-13-25-52(58)64-62(78)37-33-50-48-23-11-15-27-56(48)71(3,4)66(50)64/h5-39H,1-4H3
InChIKeyBKMNYHADGOULDA-UHFFFAOYSA-N
XLogP17.09
TPSA96.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500998.21
LogP ≤ 517.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[4-[5-(2-cyanophenyl)-2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile with MolForge

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Related Compounds

4-[4-[4-(2-cyanophenyl)-2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile
CID 170664779
2-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-4-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
CID 153432313
3-[4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-3-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
CID 139495884
2-[4-[2-(3-cyanophenyl)-6-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile
CID 170664629
3-[4-[5-cyano-2-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)benzonitrile
CID 138630426
5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole
CID 155636706
3-[3-(2-cyanophenyl)carbazol-9-yl]-4-[2-[3-(2-cyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 155003308
4-[5-[2-cyano-4-(trifluoromethyl)phenyl]-2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile
CID 149180562
5-[3-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-pyridinyl]-12,12-dimethylindeno[1,2-c]carbazole
CID 156679291
5-[2-[4-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole
CID 138712666
2-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-4-yl)phenyl]carbazol-3-yl]benzonitrile
CID 155232661
4-[9-[4-[3-[4-[3,6-bis(2,4-dicyanophenyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 166900078

Frequently Asked Questions

What is the IUPAC name of 3-[4-[5-(2-cyanophenyl)-2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile?
The IUPAC name of 3-[4-[5-(2-cyanophenyl)-2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile (CID 174169518) is 3-[4-[5-(2-cyanophenyl)-2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile.
What is the SMILES notation for 3-[4-[5-(2-cyanophenyl)-2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile?
The canonical SMILES for 3-[4-[5-(2-cyanophenyl)-2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile is CC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1ccc(C#N)cc1-c1nc(-c2ccccc2)nc(-c2cc(-c3ccccc3C#N)ccc2-n2c3ccccc3c3c4c(ccc32)-c2ccccc2C4(C)C)n1.
What is the InChIKey of 3-[4-[5-(2-cyanophenyl)-2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile?
The InChIKey is BKMNYHADGOULDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H47N7/c1-70(2)55-26-14-10-22-47(55)49-32-36-61-63(65(49)70)51-24-12-16-28-57(51)77(61)59-34-30-42(40-72)38-53(59)68-74-67(43-18-6-5-7-19-43)75-69(76-68)54-39-44(46-21-9-8-20-45(46)41-73)31-35-60(54)78-58-29-17-13-25-52(58)64-62(78)37-33-50-48-23-11-15-27-56(48)71(3,4)66(50)64/h5-39H,1-4H3.
What are the key properties of 3-[4-[5-(2-cyanophenyl)-2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile?
3-[4-[5-(2-cyanophenyl)-2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile has a molecular weight of 998.21 g/mol, XLogP of 17.09, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[5-(2-cyanophenyl)-2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile is sourced from PubChem (CID 174169518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).