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

C86H60N6 — CID 139495747

IUPAC2-[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
SMILESCc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4)ccc2n3-c2ccc(-c3ccccc3C#N)cc2-c2cccc(-n3c4ccc(-c5ccc(C)cc5)cc4c4cc(-c5ccc(C)cc5)ccc43)c2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C86H60N6/c1-54-22-30-58(31-23-54)64-38-43-78-73(48-64)74-49-65(59-32-24-55(2)25-33-59)39-44-79(74)91(78)77-47-42-68(70-19-12-11-18-69(70)53-87)52-72(77)71-20-13-21-82(83(71)86-89-84(62-14-7-5-8-15-62)88-85(90-86)63-16-9-6-10-17-63)92-80-45-40-66(60-34-26-56(3)27-35-60)50-75(80)76-51-67(41-46-81(76)92)61-36-28-57(4)29-37-61/h5-52H,1-4H3
InChIKeyHPMRDUUPFVLCJE-UHFFFAOYSA-N
MW1177.47 g/mol
LogP22.17
Rot. Bonds11

About 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

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 (PubChem CID 139495747) has the molecular formula C86H60N6 and a molecular weight of 1177.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID139495747
Molecular FormulaC86H60N6
Molecular Weight1177.47 g/mol
Exact Mass1176.49
IUPAC Name2-[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
SMILESCc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4)ccc2n3-c2ccc(-c3ccccc3C#N)cc2-c2cccc(-n3c4ccc(-c5ccc(C)cc5)cc4c4cc(-c5ccc(C)cc5)ccc43)c2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C86H60N6/c1-54-22-30-58(31-23-54)64-38-43-78-73(48-64)74-49-65(59-32-24-55(2)25-33-59)39-44-79(74)91(78)77-47-42-68(70-19-12-11-18-69(70)53-87)52-72(77)71-20-13-21-82(83(71)86-89-84(62-14-7-5-8-15-62)88-85(90-86)63-16-9-6-10-17-63)92-80-45-40-66(60-34-26-56(3)27-35-60)50-75(80)76-51-67(41-46-81(76)92)61-36-28-57(4)29-37-61/h5-52H,1-4H3
InChIKeyHPMRDUUPFVLCJE-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-[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 with MolForge

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Related Compounds

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
3-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[4-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-(2-cyanophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 174170172
4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]phenyl]benzonitrile
CID 139495805
3-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(3-phenylcarbazol-9-yl)phenyl]-4-(3-phenylcarbazol-9-yl)phenyl]benzonitrile
CID 139495502
2-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]benzonitrile
CID 139495914
3-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]phenyl]benzonitrile
CID 139495509
3-[4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[3-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile;3-[4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
CID 161415929
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-[4-(3-carbazol-9-ylcarbazol-9-yl)-3-[3-(3-carbazol-9-ylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
CID 139496184
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
2-[9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]benzonitrile
CID 155463317
9-[4-(4-cyanophenyl)-2-[3-(3,6-diisocyanocarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-isocyanocarbazole-3-carbonitrile
CID 153432138

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4)ccc2n3-c2ccc(-c3ccccc3C#N)cc2-c2cccc(-n3c4ccc(-c5ccc(C)cc5)cc4c4cc(-c5ccc(C)cc5)ccc43)c2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 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?
The InChIKey is HPMRDUUPFVLCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H60N6/c1-54-22-30-58(31-23-54)64-38-43-78-73(48-64)74-49-65(59-32-24-55(2)25-33-59)39-44-79(74)91(78)77-47-42-68(70-19-12-11-18-69(70)53-87)52-72(77)71-20-13-21-82(83(71)86-89-84(62-14-7-5-8-15-62)88-85(90-86)63-16-9-6-10-17-63)92-80-45-40-66(60-34-26-56(3)27-35-60)50-75(80)76-51-67(41-46-81(76)92)61-36-28-57(4)29-37-61/h5-52H,1-4H3.
What are the key properties of 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?
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 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-[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 is sourced from PubChem (CID 139495747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).