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

C86H60N6 — CID 139496162

IUPAC2-[3-[3,6-bis(4-methylphenyl)carbazol-9-yl]-4-[2-[3,6-bis(4-methylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
SMILESCc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4)ccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2ccc(-c3ccccc3C#N)cc2-n2c3ccc(-c4ccc(C)cc4)cc3c3cc(-c4ccc(C)cc4)ccc32)cc1
InChIInChI=1S/C86H60N6/c1-54-19-27-58(28-20-54)64-36-42-79-74(47-64)75-48-65(59-29-21-55(2)22-30-59)37-43-80(75)91(79)78-46-40-69(86-89-84(62-13-7-5-8-14-62)88-85(90-86)63-15-9-6-10-16-63)51-73(78)72-41-35-68(71-18-12-11-17-70(71)53-87)52-83(72)92-81-44-38-66(60-31-23-56(3)24-32-60)49-76(81)77-50-67(39-45-82(77)92)61-33-25-57(4)26-34-61/h5-52H,1-4H3
InChIKeyGGFRJNSDPQKFCL-UHFFFAOYSA-N
MW1177.47 g/mol
LogP22.17
Rot. Bonds11

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

2-[3-[3,6-bis(4-methylphenyl)carbazol-9-yl]-4-[2-[3,6-bis(4-methylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile (PubChem CID 139496162) has the molecular formula C86H60N6 and a molecular weight of 1177.47 g/mol. Its IUPAC name is 2-[3-[3,6-bis(4-methylphenyl)carbazol-9-yl]-4-[2-[3,6-bis(4-methylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile.

Molecular Properties

Compound Name2-[3-[3,6-bis(4-methylphenyl)carbazol-9-yl]-4-[2-[3,6-bis(4-methylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
PubChem CID139496162
Molecular FormulaC86H60N6
Molecular Weight1177.47 g/mol
Exact Mass1176.49
IUPAC Name2-[3-[3,6-bis(4-methylphenyl)carbazol-9-yl]-4-[2-[3,6-bis(4-methylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
SMILESCc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4)ccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2ccc(-c3ccccc3C#N)cc2-n2c3ccc(-c4ccc(C)cc4)cc3c3cc(-c4ccc(C)cc4)ccc32)cc1
InChIInChI=1S/C86H60N6/c1-54-19-27-58(28-20-54)64-36-42-79-74(47-64)75-48-65(59-29-21-55(2)22-30-59)37-43-80(75)91(79)78-46-40-69(86-89-84(62-13-7-5-8-14-62)88-85(90-86)63-15-9-6-10-16-63)51-73(78)72-41-35-68(71-18-12-11-17-70(71)53-87)52-83(72)92-81-44-38-66(60-31-23-56(3)24-32-60)49-76(81)77-50-67(39-45-82(77)92)61-33-25-57(4)26-34-61/h5-52H,1-4H3
InChIKeyGGFRJNSDPQKFCL-UHFFFAOYSA-N
XLogP22.17
TPSA72.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001177.47
LogP ≤ 522.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-[3-[3-(2,4-dimethylphenyl)carbazol-9-yl]-4-[2-[3-(2,4-dimethylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
CID 139496163
2-[4-[3,6-bis(4-methylphenyl)carbazol-9-yl]-3-[3-[3,6-bis(4-methylphenyl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
CID 139495747
2-[3-(3,6-dimethylcarbazol-9-yl)-4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]phenyl]benzonitrile
CID 159473587
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
2-[4-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[5-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
CID 139495738
2-[6-(2-cyanophenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-fluorophenyl)phenyl]carbazol-3-yl]benzonitrile
CID 138549616
2-[4-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[4-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile;9-[2-[4-[3,6-bis(4-methylphenyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(2-isocyanophenyl)phenyl]-3,6-bis(4-methylphenyl)carbazole;2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-4-[3-(4-methylphenyl)carbazol-9-yl]phenyl]benzonitrile
CID 157125901
4-(3,6-diphenylcarbazol-9-yl)-3-[2-(3,6-diphenylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 155003386
4-[4-[4-(2-cyanophenyl)-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile
CID 170664720
2-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(3-methylphenyl)carbazol-9-yl]phenyl]-4-[3-(3-methylphenyl)carbazol-9-yl]phenyl]benzonitrile
CID 139495723
9-[2-[3-[2-[3,6-bis(4-methylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(4-methylphenyl)carbazole
CID 162500488
4-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-methylphenyl]benzonitrile
CID 157473750

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3,6-bis(4-methylphenyl)carbazol-9-yl]-4-[2-[3,6-bis(4-methylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile?
The IUPAC name of 2-[3-[3,6-bis(4-methylphenyl)carbazol-9-yl]-4-[2-[3,6-bis(4-methylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile (CID 139496162) is 2-[3-[3,6-bis(4-methylphenyl)carbazol-9-yl]-4-[2-[3,6-bis(4-methylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile.
What is the SMILES notation for 2-[3-[3,6-bis(4-methylphenyl)carbazol-9-yl]-4-[2-[3,6-bis(4-methylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile?
The canonical SMILES for 2-[3-[3,6-bis(4-methylphenyl)carbazol-9-yl]-4-[2-[3,6-bis(4-methylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile is Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4)ccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2ccc(-c3ccccc3C#N)cc2-n2c3ccc(-c4ccc(C)cc4)cc3c3cc(-c4ccc(C)cc4)ccc32)cc1.
What is the InChIKey of 2-[3-[3,6-bis(4-methylphenyl)carbazol-9-yl]-4-[2-[3,6-bis(4-methylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile?
The InChIKey is GGFRJNSDPQKFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H60N6/c1-54-19-27-58(28-20-54)64-36-42-79-74(47-64)75-48-65(59-29-21-55(2)22-30-59)37-43-80(75)91(79)78-46-40-69(86-89-84(62-13-7-5-8-14-62)88-85(90-86)63-15-9-6-10-16-63)51-73(78)72-41-35-68(71-18-12-11-17-70(71)53-87)52-83(72)92-81-44-38-66(60-31-23-56(3)24-32-60)49-76(81)77-50-67(39-45-82(77)92)61-33-25-57(4)26-34-61/h5-52H,1-4H3.
What are the key properties of 2-[3-[3,6-bis(4-methylphenyl)carbazol-9-yl]-4-[2-[3,6-bis(4-methylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile?
2-[3-[3,6-bis(4-methylphenyl)carbazol-9-yl]-4-[2-[3,6-bis(4-methylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile has a molecular weight of 1177.47 g/mol, XLogP of 22.17, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3,6-bis(4-methylphenyl)carbazol-9-yl]-4-[2-[3,6-bis(4-methylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile is sourced from PubChem (CID 139496162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).