4-[3-[5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]benzonitrile

C98H82N8 — CID 139496096

IUPAC4-[3-[5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]benzonitrile
SMILESCC(C)(C)c1cc(-c2nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)nc(-c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c(-c4cc(-c5ccc(C#N)cc5)ccc4-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c3)n2)cc(C(C)(C)C)c1
InChIInChI=1S/C98H82N8/c1-95(2,3)66-49-64(50-67(55-66)96(4,5)6)93-100-92(101-94(102-93)65-51-68(97(7,8)9)56-69(52-65)98(10,11)12)63-42-46-89(106-87-36-24-18-30-77(87)81-58-71(44-48-91(81)106)104-84-33-21-15-27-74(84)75-28-16-22-34-85(75)104)79(54-63)78-53-62(61-39-37-60(59-99)38-40-61)41-45-88(78)105-86-35-23-17-29-76(86)80-57-70(43-47-90(80)105)103-82-31-19-13-25-72(82)73-26-14-20-32-83(73)103/h13-58H,1-12H3
InChIKeyRHIASNJFSRYSCM-UHFFFAOYSA-N
MW1371.79 g/mol
LogP25.66
Rot. Bonds9

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

4-[3-[5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]benzonitrile (PubChem CID 139496096) has the molecular formula C98H82N8 and a molecular weight of 1371.79 g/mol. Its IUPAC name is 4-[3-[5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]benzonitrile.

Molecular Properties

Compound Name4-[3-[5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]benzonitrile
PubChem CID139496096
Molecular FormulaC98H82N8
Molecular Weight1371.79 g/mol
Exact Mass1370.67
IUPAC Name4-[3-[5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]benzonitrile
SMILESCC(C)(C)c1cc(-c2nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)nc(-c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c(-c4cc(-c5ccc(C#N)cc5)ccc4-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c3)n2)cc(C(C)(C)C)c1
InChIInChI=1S/C98H82N8/c1-95(2,3)66-49-64(50-67(55-66)96(4,5)6)93-100-92(101-94(102-93)65-51-68(97(7,8)9)56-69(52-65)98(10,11)12)63-42-46-89(106-87-36-24-18-30-77(87)81-58-71(44-48-91(81)106)104-84-33-21-15-27-74(84)75-28-16-22-34-85(75)104)79(54-63)78-53-62(61-39-37-60(59-99)38-40-61)41-45-88(78)105-86-35-23-17-29-76(86)80-57-70(43-47-90(80)105)103-82-31-19-13-25-72(82)73-26-14-20-32-83(73)103/h13-58H,1-12H3
InChIKeyRHIASNJFSRYSCM-UHFFFAOYSA-N
XLogP25.66
TPSA82.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms106
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001371.79
LogP ≤ 525.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-[5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-carbazol-9-ylphenyl]-3-carbazol-9-ylphenyl]benzonitrile
CID 139495590
3-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile
CID 146429626
9-[3-[5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-carbazol-9-ylphenyl]-4-pyridinyl]carbazole-3,6-dicarbonitrile
CID 156679407
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
4-[4-(3,6-ditert-butylcarbazol-9-yl)-3-[5-(3,6-ditert-butylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
CID 139495579
4-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzonitrile
CID 139496085
4-[9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzonitrile
CID 137421119
3-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-5-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
CID 147991874
9-[2-[3-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-phenylcarbazole
CID 155636561
4-[9-[2-[3-[2-[3-(4-cyanophenyl)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]carbazol-3-yl]benzonitrile
CID 162500780
4-(3-tert-butylcarbazol-9-yl)-2-[2-(3-tert-butylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 155003329
9-[2-[5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-carbazol-9-ylphenyl]phenyl]-3,6-ditert-butylcarbazole
CID 155636636

Frequently Asked Questions

What is the IUPAC name of 4-[3-[5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]benzonitrile?
The IUPAC name of 4-[3-[5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]benzonitrile (CID 139496096) is 4-[3-[5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]benzonitrile.
What is the SMILES notation for 4-[3-[5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]benzonitrile?
The canonical SMILES for 4-[3-[5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]benzonitrile is CC(C)(C)c1cc(-c2nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)nc(-c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c(-c4cc(-c5ccc(C#N)cc5)ccc4-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c3)n2)cc(C(C)(C)C)c1.
What is the InChIKey of 4-[3-[5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]benzonitrile?
The InChIKey is RHIASNJFSRYSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C98H82N8/c1-95(2,3)66-49-64(50-67(55-66)96(4,5)6)93-100-92(101-94(102-93)65-51-68(97(7,8)9)56-69(52-65)98(10,11)12)63-42-46-89(106-87-36-24-18-30-77(87)81-58-71(44-48-91(81)106)104-84-33-21-15-27-74(84)75-28-16-22-34-85(75)104)79(54-63)78-53-62(61-39-37-60(59-99)38-40-61)41-45-88(78)105-86-35-23-17-29-76(86)80-57-70(43-47-90(80)105)103-82-31-19-13-25-72(82)73-26-14-20-32-83(73)103/h13-58H,1-12H3.
What are the key properties of 4-[3-[5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]benzonitrile?
4-[3-[5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]benzonitrile has a molecular weight of 1371.79 g/mol, XLogP of 25.66, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]benzonitrile is sourced from PubChem (CID 139496096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).