9-[4-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylphenyl]carbazole;3-[3,6-di(carbazol-9-yl)-2-phenylphenyl]-5-isocyanobenzonitrile;4-[2,3,4,5-tetra(carbazol-9-yl)-6-(4-isocyanophenyl)phenyl]benzonitrile

C163H99N15 — CID 158396242

IUPAC9-[4-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylphenyl]carbazole;3-[3,6-di(carbazol-9-yl)-2-phenylphenyl]-5-isocyanobenzonitrile;4-[2,3,4,5-tetra(carbazol-9-yl)-6-(4-isocyanophenyl)phenyl]benzonitrile
SMILES[C-]#[N+]c1cc(C#N)cc(-c2c(-n3c4ccccc4c4ccccc43)ccc(-n3c4ccccc4c4ccccc43)c2-c2ccccc2)c1.[C-]#[N+]c1ccc(-c2c(-c3ccc(C#N)cc3)c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4ccccc43)c2-n2c3ccccc3c3ccccc32)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3c(-n4c5ccccc5c5ccccc54)ccc(-n4c5ccccc5c5ccccc54)c3-c3ccccc3)n2)cc1
InChIInChI=1S/C68H40N6.C51H33N5.C44H26N4/c1-70-46-40-38-45(39-41-46)64-63(44-36-34-43(42-69)35-37-44)65(71-55-26-10-2-18-47(55)48-19-3-11-27-56(48)71)67(73-59-30-14-6-22-51(59)52-23-7-15-31-60(52)73)68(74-61-32-16-8-24-53(61)54-25-9-17-33-62(54)74)66(64)72-57-28-12-4-20-49(57)50-21-5-13-29-58(50)72;1-4-18-34(19-5-1)47-45(55-41-28-14-10-24-37(41)38-25-11-15-29-42(38)55)32-33-46(56-43-30-16-12-26-39(43)40-27-13-17-31-44(40)56)48(47)51-53-49(35-20-6-2-7-21-35)52-50(54-51)36-22-8-3-9-23-36;1-46-32-26-29(28-45)25-31(27-32)44-42(48-39-21-11-7-17-35(39)36-18-8-12-22-40(36)48)24-23-41(43(44)30-13-3-2-4-14-30)47-37-19-9-5-15-33(37)34-16-6-10-20-38(34)47/h2-41H;1-33H;2-27H
InChIKeyGXOQSYQZFJCSHF-UHFFFAOYSA-N
MW2267.69 g/mol
LogP42.20
Rot. Bonds16

About 9-[4-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylphenyl]carbazole;3-[3,6-di(carbazol-9-yl)-2-phenylphenyl]-5-isocyanobenzonitrile;4-[2,3,4,5-tetra(carbazol-9-yl)-6-(4-isocyanophenyl)phenyl]benzonitrile

9-[4-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylphenyl]carbazole;3-[3,6-di(carbazol-9-yl)-2-phenylphenyl]-5-isocyanobenzonitrile;4-[2,3,4,5-tetra(carbazol-9-yl)-6-(4-isocyanophenyl)phenyl]benzonitrile (PubChem CID 158396242) has the molecular formula C163H99N15 and a molecular weight of 2267.69 g/mol. Its IUPAC name is 9-[4-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylphenyl]carbazole;3-[3,6-di(carbazol-9-yl)-2-phenylphenyl]-5-isocyanobenzonitrile;4-[2,3,4,5-tetra(carbazol-9-yl)-6-(4-isocyanophenyl)phenyl]benzonitrile.

Molecular Properties

Compound Name9-[4-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylphenyl]carbazole;3-[3,6-di(carbazol-9-yl)-2-phenylphenyl]-5-isocyanobenzonitrile;4-[2,3,4,5-tetra(carbazol-9-yl)-6-(4-isocyanophenyl)phenyl]benzonitrile
PubChem CID158396242
Molecular FormulaC163H99N15
Molecular Weight2267.69 g/mol
Exact Mass2265.82
IUPAC Name9-[4-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylphenyl]carbazole;3-[3,6-di(carbazol-9-yl)-2-phenylphenyl]-5-isocyanobenzonitrile;4-[2,3,4,5-tetra(carbazol-9-yl)-6-(4-isocyanophenyl)phenyl]benzonitrile
SMILES[C-]#[N+]c1cc(C#N)cc(-c2c(-n3c4ccccc4c4ccccc43)ccc(-n3c4ccccc4c4ccccc43)c2-c2ccccc2)c1.[C-]#[N+]c1ccc(-c2c(-c3ccc(C#N)cc3)c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4ccccc43)c2-n2c3ccccc3c3ccccc32)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3c(-n4c5ccccc5c5ccccc54)ccc(-n4c5ccccc5c5ccccc54)c3-c3ccccc3)n2)cc1
InChIInChI=1S/C68H40N6.C51H33N5.C44H26N4/c1-70-46-40-38-45(39-41-46)64-63(44-36-34-43(42-69)35-37-44)65(71-55-26-10-2-18-47(55)48-19-3-11-27-56(48)71)67(73-59-30-14-6-22-51(59)52-23-7-15-31-60(52)73)68(74-61-32-16-8-24-53(61)54-25-9-17-33-62(54)74)66(64)72-57-28-12-4-20-49(57)50-21-5-13-29-58(50)72;1-4-18-34(19-5-1)47-45(55-41-28-14-10-24-37(41)38-25-11-15-29-42(38)55)32-33-46(56-43-30-16-12-26-39(43)40-27-13-17-31-44(40)56)48(47)51-53-49(35-20-6-2-7-21-35)52-50(54-51)36-22-8-3-9-23-36;1-46-32-26-29(28-45)25-31(27-32)44-42(48-39-21-11-7-17-35(39)36-18-8-12-22-40(36)48)24-23-41(43(44)30-13-3-2-4-14-30)47-37-19-9-5-15-33(37)34-16-6-10-20-38(34)47/h2-41H;1-33H;2-27H
InChIKeyGXOQSYQZFJCSHF-UHFFFAOYSA-N
XLogP42.20
TPSA134.41 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds16
Heavy Atoms178
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002267.69
LogP ≤ 542.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 9-[4-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylphenyl]carbazole;3-[3,6-di(carbazol-9-yl)-2-phenylphenyl]-5-isocyanobenzonitrile;4-[2,3,4,5-tetra(carbazol-9-yl)-6-(4-isocyanophenyl)phenyl]benzonitrile with MolForge

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Related Compounds

3-[3-(3-cyano-5-isocyanophenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 140871870
4-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[3-(4-isocyanophenyl)carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]benzonitrile
CID 162500642
4-[4-[4-[4-(3-isocyanophenyl)phenyl]-6-[4-(4-isocyanophenyl)-2-(3-phenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]-3-(3-phenylcarbazol-9-yl)phenyl]benzonitrile
CID 169035845
5-[9-[2-[2-[3,6-bis(3-cyano-5-isocyanophenyl)carbazol-9-yl]-5-(3-isocyanophenyl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(3-cyano-5-isocyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 153432173
3-[9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5-isocyanobenzonitrile
CID 155627999
3-[3-(4-cyanophenyl)carbazol-9-yl]-4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(4-isocyanophenyl)carbazol-9-yl]phenyl]benzonitrile
CID 154603045
4-[3-(3-cyanophenyl)carbazol-9-yl]-3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(3-isocyanophenyl)carbazol-9-yl]phenyl]benzonitrile
CID 154603260
3-[9-[2,6-bis(4-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(3-cyano-5-isocyanophenyl)carbazol-3-yl]-5-isocyanobenzonitrile
CID 158031667
3-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-2-yl)phenyl]carbazol-3-yl]-5-isocyanobenzonitrile
CID 169045265
4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(4-isocyanophenyl)-2-[3-(4-methylphenyl)carbazol-9-yl]phenyl]benzonitrile
CID 155656722
4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(4-isocyanophenyl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]benzonitrile
CID 155656793
9-[3,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-5,6,7-tris(3-isocyanocarbazol-9-yl)-2-oxochromen-8-yl]carbazole-3-carbonitrile
CID 153461198

Frequently Asked Questions

What is the IUPAC name of 9-[4-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylphenyl]carbazole;3-[3,6-di(carbazol-9-yl)-2-phenylphenyl]-5-isocyanobenzonitrile;4-[2,3,4,5-tetra(carbazol-9-yl)-6-(4-isocyanophenyl)phenyl]benzonitrile?
The IUPAC name of 9-[4-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylphenyl]carbazole;3-[3,6-di(carbazol-9-yl)-2-phenylphenyl]-5-isocyanobenzonitrile;4-[2,3,4,5-tetra(carbazol-9-yl)-6-(4-isocyanophenyl)phenyl]benzonitrile (CID 158396242) is 9-[4-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylphenyl]carbazole;3-[3,6-di(carbazol-9-yl)-2-phenylphenyl]-5-isocyanobenzonitrile;4-[2,3,4,5-tetra(carbazol-9-yl)-6-(4-isocyanophenyl)phenyl]benzonitrile.
What is the SMILES notation for 9-[4-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylphenyl]carbazole;3-[3,6-di(carbazol-9-yl)-2-phenylphenyl]-5-isocyanobenzonitrile;4-[2,3,4,5-tetra(carbazol-9-yl)-6-(4-isocyanophenyl)phenyl]benzonitrile?
The canonical SMILES for 9-[4-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylphenyl]carbazole;3-[3,6-di(carbazol-9-yl)-2-phenylphenyl]-5-isocyanobenzonitrile;4-[2,3,4,5-tetra(carbazol-9-yl)-6-(4-isocyanophenyl)phenyl]benzonitrile is [C-]#[N+]c1cc(C#N)cc(-c2c(-n3c4ccccc4c4ccccc43)ccc(-n3c4ccccc4c4ccccc43)c2-c2ccccc2)c1.[C-]#[N+]c1ccc(-c2c(-c3ccc(C#N)cc3)c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4ccccc43)c2-n2c3ccccc3c3ccccc32)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3c(-n4c5ccccc5c5ccccc54)ccc(-n4c5ccccc5c5ccccc54)c3-c3ccccc3)n2)cc1.
What is the InChIKey of 9-[4-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylphenyl]carbazole;3-[3,6-di(carbazol-9-yl)-2-phenylphenyl]-5-isocyanobenzonitrile;4-[2,3,4,5-tetra(carbazol-9-yl)-6-(4-isocyanophenyl)phenyl]benzonitrile?
The InChIKey is GXOQSYQZFJCSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H40N6.C51H33N5.C44H26N4/c1-70-46-40-38-45(39-41-46)64-63(44-36-34-43(42-69)35-37-44)65(71-55-26-10-2-18-47(55)48-19-3-11-27-56(48)71)67(73-59-30-14-6-22-51(59)52-23-7-15-31-60(52)73)68(74-61-32-16-8-24-53(61)54-25-9-17-33-62(54)74)66(64)72-57-28-12-4-20-49(57)50-21-5-13-29-58(50)72;1-4-18-34(19-5-1)47-45(55-41-28-14-10-24-37(41)38-25-11-15-29-42(38)55)32-33-46(56-43-30-16-12-26-39(43)40-27-13-17-31-44(40)56)48(47)51-53-49(35-20-6-2-7-21-35)52-50(54-51)36-22-8-3-9-23-36;1-46-32-26-29(28-45)25-31(27-32)44-42(48-39-21-11-7-17-35(39)36-18-8-12-22-40(36)48)24-23-41(43(44)30-13-3-2-4-14-30)47-37-19-9-5-15-33(37)34-16-6-10-20-38(34)47/h2-41H;1-33H;2-27H.
What are the key properties of 9-[4-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylphenyl]carbazole;3-[3,6-di(carbazol-9-yl)-2-phenylphenyl]-5-isocyanobenzonitrile;4-[2,3,4,5-tetra(carbazol-9-yl)-6-(4-isocyanophenyl)phenyl]benzonitrile?
9-[4-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylphenyl]carbazole;3-[3,6-di(carbazol-9-yl)-2-phenylphenyl]-5-isocyanobenzonitrile;4-[2,3,4,5-tetra(carbazol-9-yl)-6-(4-isocyanophenyl)phenyl]benzonitrile has a molecular weight of 2267.69 g/mol, XLogP of 42.20, 16 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylphenyl]carbazole;3-[3,6-di(carbazol-9-yl)-2-phenylphenyl]-5-isocyanobenzonitrile;4-[2,3,4,5-tetra(carbazol-9-yl)-6-(4-isocyanophenyl)phenyl]benzonitrile is sourced from PubChem (CID 158396242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).