9-[4-[3-[2-carbazol-9-yl-5-(3-carbazol-9-ylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-1-phenylcarbazole

C69H44N6 — CID 139303605

IUPAC9-[4-[3-[2-carbazol-9-yl-5-(3-carbazol-9-ylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-1-phenylcarbazole
SMILESc1ccc(-c2nc(-c3cccc(-c4cc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)ccc4-n4c5ccccc5c5ccccc54)c3)nc(-n3c4ccccc4c4cccc(-c5ccccc5)c43)n2)cc1
InChIInChI=1S/C69H44N6/c1-3-20-45(21-4-1)52-33-19-34-58-57-32-11-16-39-64(57)75(66(52)58)69-71-67(46-22-5-2-6-23-46)70-68(72-69)50-26-17-25-49(42-50)59-44-48(40-41-65(59)74-62-37-14-9-30-55(62)56-31-10-15-38-63(56)74)47-24-18-27-51(43-47)73-60-35-12-7-28-53(60)54-29-8-13-36-61(54)73/h1-44H
InChIKeyXREKLJRPPFFWTM-UHFFFAOYSA-N
MW957.15 g/mol
LogP17.50
Rot. Bonds8

About 9-[4-[3-[2-carbazol-9-yl-5-(3-carbazol-9-ylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-1-phenylcarbazole

9-[4-[3-[2-carbazol-9-yl-5-(3-carbazol-9-ylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-1-phenylcarbazole (PubChem CID 139303605) has the molecular formula C69H44N6 and a molecular weight of 957.15 g/mol. Its IUPAC name is 9-[4-[3-[2-carbazol-9-yl-5-(3-carbazol-9-ylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-1-phenylcarbazole.

Molecular Properties

Compound Name9-[4-[3-[2-carbazol-9-yl-5-(3-carbazol-9-ylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-1-phenylcarbazole
PubChem CID139303605
Molecular FormulaC69H44N6
Molecular Weight957.15 g/mol
Exact Mass956.36
IUPAC Name9-[4-[3-[2-carbazol-9-yl-5-(3-carbazol-9-ylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-1-phenylcarbazole
SMILESc1ccc(-c2nc(-c3cccc(-c4cc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)ccc4-n4c5ccccc5c5ccccc54)c3)nc(-n3c4ccccc4c4cccc(-c5ccccc5)c43)n2)cc1
InChIInChI=1S/C69H44N6/c1-3-20-45(21-4-1)52-33-19-34-58-57-32-11-16-39-64(57)75(66(52)58)69-71-67(46-22-5-2-6-23-46)70-68(72-69)50-26-17-25-49(42-50)59-44-48(40-41-65(59)74-62-37-14-9-30-55(62)56-31-10-15-38-63(56)74)47-24-18-27-51(43-47)73-60-35-12-7-28-53(60)54-29-8-13-36-61(54)73/h1-44H
InChIKeyXREKLJRPPFFWTM-UHFFFAOYSA-N
XLogP17.50
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500957.15
LogP ≤ 517.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-[4-[3-[2-carbazol-9-yl-5-(3-carbazol-9-ylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-1-phenylcarbazole 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

9-[4-[4-(2-carbazol-9-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1-phenylcarbazole
CID 139303789
9-[2-[4-[4-carbazol-9-yl-6-[3-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-4-phenylphenyl]carbazole
CID 139303815
9-[2-[4-[4-carbazol-9-yl-6-[4-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-4-phenylphenyl]carbazole
CID 139303352
9-[4-[8-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]-1-phenylcarbazole
CID 139303270
1-phenyl-9-[4-phenyl-6-[3-[2-[3-[3-[4-phenyl-6-[1-(4-phenylphenyl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 137397297
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-[3-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]phenyl]phenyl]carbazole
CID 89296040
9-[4-(4-carbazol-9-yl-3-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1-dibenzofuran-2-ylcarbazole
CID 139303631
12-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-[2-(4-phenylphenyl)phenyl]indolo[2,3-a]carbazole
CID 175627106
11-[2-[3-(3-phenylphenyl)phenyl]phenyl]-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 175616505
9-[2-[3-[4-[3-carbazol-9-yl-4-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-phenylphenyl]carbazole
CID 139303447
11-[2-phenyl-4-(4-phenylphenyl)phenyl]-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 167154429
9-[2-[4-[4-(4-carbazol-9-yl-3-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 139303288

Frequently Asked Questions

What is the IUPAC name of 9-[4-[3-[2-carbazol-9-yl-5-(3-carbazol-9-ylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-1-phenylcarbazole?
The IUPAC name of 9-[4-[3-[2-carbazol-9-yl-5-(3-carbazol-9-ylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-1-phenylcarbazole (CID 139303605) is 9-[4-[3-[2-carbazol-9-yl-5-(3-carbazol-9-ylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-1-phenylcarbazole.
What is the SMILES notation for 9-[4-[3-[2-carbazol-9-yl-5-(3-carbazol-9-ylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-1-phenylcarbazole?
The canonical SMILES for 9-[4-[3-[2-carbazol-9-yl-5-(3-carbazol-9-ylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-1-phenylcarbazole is c1ccc(-c2nc(-c3cccc(-c4cc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)ccc4-n4c5ccccc5c5ccccc54)c3)nc(-n3c4ccccc4c4cccc(-c5ccccc5)c43)n2)cc1.
What is the InChIKey of 9-[4-[3-[2-carbazol-9-yl-5-(3-carbazol-9-ylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-1-phenylcarbazole?
The InChIKey is XREKLJRPPFFWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H44N6/c1-3-20-45(21-4-1)52-33-19-34-58-57-32-11-16-39-64(57)75(66(52)58)69-71-67(46-22-5-2-6-23-46)70-68(72-69)50-26-17-25-49(42-50)59-44-48(40-41-65(59)74-62-37-14-9-30-55(62)56-31-10-15-38-63(56)74)47-24-18-27-51(43-47)73-60-35-12-7-28-53(60)54-29-8-13-36-61(54)73/h1-44H.
What are the key properties of 9-[4-[3-[2-carbazol-9-yl-5-(3-carbazol-9-ylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-1-phenylcarbazole?
9-[4-[3-[2-carbazol-9-yl-5-(3-carbazol-9-ylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-1-phenylcarbazole has a molecular weight of 957.15 g/mol, XLogP of 17.50, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[3-[2-carbazol-9-yl-5-(3-carbazol-9-ylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-1-phenylcarbazole is sourced from PubChem (CID 139303605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).