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

C69H45N5 — CID 158533687

IUPAC9-[4-[4-[3-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
SMILESc1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)n5)c4)c3)c2)cc1
InChIInChI=1S/C69H45N5/c1-3-17-46(18-4-1)54-43-55(47-33-37-57(38-34-47)73-63-29-11-7-25-59(63)60-26-8-12-30-64(60)73)45-56(44-54)52-23-15-21-50(41-52)51-22-16-24-53(42-51)69-71-67(48-19-5-2-6-20-48)70-68(72-69)49-35-39-58(40-36-49)74-65-31-13-9-27-61(65)62-28-10-14-32-66(62)74/h1-45H
InChIKeyHNRLHACBNWMMFV-UHFFFAOYSA-N
MW944.15 g/mol
LogP17.73
Rot. Bonds9

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

9-[4-[4-[3-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole (PubChem CID 158533687) has the molecular formula C69H45N5 and a molecular weight of 944.15 g/mol. Its IUPAC name is 9-[4-[4-[3-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[4-[3-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
PubChem CID158533687
Molecular FormulaC69H45N5
Molecular Weight944.15 g/mol
Exact Mass943.37
IUPAC Name9-[4-[4-[3-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
SMILESc1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)n5)c4)c3)c2)cc1
InChIInChI=1S/C69H45N5/c1-3-17-46(18-4-1)54-43-55(47-33-37-57(38-34-47)73-63-29-11-7-25-59(63)60-26-8-12-30-64(60)73)45-56(44-54)52-23-15-21-50(41-52)51-22-16-24-53(42-51)69-71-67(48-19-5-2-6-20-48)70-68(72-69)49-35-39-58(40-36-49)74-65-31-13-9-27-61(65)62-28-10-14-32-66(62)74/h1-45H
InChIKeyHNRLHACBNWMMFV-UHFFFAOYSA-N
XLogP17.73
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500944.15
LogP ≤ 517.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-[4-[4-[3-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole 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-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155156244
9-[4-[4-[3-[3-[4-[4,6-bis(4-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-6-(4-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 58943500
9-[4-[4-[3-[3-[3-[4,6-bis(4-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-6-(4-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 58943494
9-[4-[4-[4-[4-[3-[4-[4,6-bis[4-(4-carbazol-9-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-6-[4-(4-carbazol-9-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 58943409
9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4-phenylphenyl)carbazole
CID 135144167
3-[9-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 58511500
9-[4-(3-phenylphenyl)phenyl]-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155087328
9-[3-[3-[4-[3-(3-carbazol-9-yl-5-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-phenylphenyl]carbazole
CID 139303922
9-[4-[4-(4-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 146622020
5-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole
CID 118508799
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 162483719
9-[3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 153208818

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-[3-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole?
The IUPAC name of 9-[4-[4-[3-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole (CID 158533687) is 9-[4-[4-[3-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[4-[3-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole?
The canonical SMILES for 9-[4-[4-[3-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole is c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)n5)c4)c3)c2)cc1.
What is the InChIKey of 9-[4-[4-[3-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole?
The InChIKey is HNRLHACBNWMMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H45N5/c1-3-17-46(18-4-1)54-43-55(47-33-37-57(38-34-47)73-63-29-11-7-25-59(63)60-26-8-12-30-64(60)73)45-56(44-54)52-23-15-21-50(41-52)51-22-16-24-53(42-51)69-71-67(48-19-5-2-6-20-48)70-68(72-69)49-35-39-58(40-36-49)74-65-31-13-9-27-61(65)62-28-10-14-32-66(62)74/h1-45H.
What are the key properties of 9-[4-[4-[3-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole?
9-[4-[4-[3-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole has a molecular weight of 944.15 g/mol, XLogP of 17.73, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-[3-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole is sourced from PubChem (CID 158533687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).