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

C63H41N5 — CID 170097918

IUPAC5-carbazol-9-yl-2-phenyl-9-[4-phenyl-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc(-n5c6cc(-c7ccccc7)ccc6c6c(-n7c8ccccc8c8ccccc87)cccc65)ccc4-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C63H41N5/c1-5-18-42(19-6-1)44-32-34-47(35-33-44)62-64-61(46-24-11-4-12-25-46)65-63(66-62)54-41-49(37-39-50(54)45-22-9-3-10-23-45)67-57-30-17-31-58(68-55-28-15-13-26-51(55)52-27-14-16-29-56(52)68)60(57)53-38-36-48(40-59(53)67)43-20-7-2-8-21-43/h1-41H
InChIKeyNOTWDTMAVWNSJI-UHFFFAOYSA-N
MW868.06 g/mol
LogP16.07
Rot. Bonds8

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

5-carbazol-9-yl-2-phenyl-9-[4-phenyl-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole (PubChem CID 170097918) has the molecular formula C63H41N5 and a molecular weight of 868.06 g/mol. Its IUPAC name is 5-carbazol-9-yl-2-phenyl-9-[4-phenyl-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole.

Molecular Properties

Compound Name5-carbazol-9-yl-2-phenyl-9-[4-phenyl-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
PubChem CID170097918
Molecular FormulaC63H41N5
Molecular Weight868.06 g/mol
Exact Mass867.34
IUPAC Name5-carbazol-9-yl-2-phenyl-9-[4-phenyl-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc(-n5c6cc(-c7ccccc7)ccc6c6c(-n7c8ccccc8c8ccccc87)cccc65)ccc4-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C63H41N5/c1-5-18-42(19-6-1)44-32-34-47(35-33-44)62-64-61(46-24-11-4-12-25-46)65-63(66-62)54-41-49(37-39-50(54)45-22-9-3-10-23-45)67-57-30-17-31-58(68-55-28-15-13-26-51(55)52-27-14-16-29-56(52)68)60(57)53-38-36-48(40-59(53)67)43-20-7-2-8-21-43/h1-41H
InChIKeyNOTWDTMAVWNSJI-UHFFFAOYSA-N
XLogP16.07
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500868.06
LogP ≤ 516.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-carbazol-9-yl-2-phenyl-9-[4-phenyl-3-[4-phenyl-6-(4-phenylphenyl)-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

2-[3-(4-carbazol-9-ylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole
CID 174273630
4-carbazol-9-yl-9-[4-(2,3,4,5,6-pentadeuteriophenyl)-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 176640498
2-carbazol-9-yl-9-[2-phenyl-5-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170096976
1-carbazol-9-yl-9-[4-phenyl-3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170097695
9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-[3-(4-phenylphenyl)phenyl]carbazole
CID 170539148
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[4-(2-phenylphenyl)phenyl]carbazole
CID 170539058
2-carbazol-9-yl-9-[9-[3-(4-phenylphenyl)phenyl]carbazol-4-yl]carbazole
CID 170374188
4-carbazol-9-yl-9-[3-phenyl-5-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170097372
9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazole;9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-3,6-diphenylcarbazole;9-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-1-yl]-2,7-diphenylcarbazole;9-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-2-phenylcarbazole;9-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-3-triphenylen-2-ylcarbazole
CID 160507007
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-4-phenylcarbazole
CID 177099854
9-[3-[4-[4-(3-carbazol-9-yl-4-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 139303393
2-(3-carbazol-9-ylphenyl)-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 145151686

Frequently Asked Questions

What is the IUPAC name of 5-carbazol-9-yl-2-phenyl-9-[4-phenyl-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole?
The IUPAC name of 5-carbazol-9-yl-2-phenyl-9-[4-phenyl-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole (CID 170097918) is 5-carbazol-9-yl-2-phenyl-9-[4-phenyl-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole.
What is the SMILES notation for 5-carbazol-9-yl-2-phenyl-9-[4-phenyl-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole?
The canonical SMILES for 5-carbazol-9-yl-2-phenyl-9-[4-phenyl-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc(-n5c6cc(-c7ccccc7)ccc6c6c(-n7c8ccccc8c8ccccc87)cccc65)ccc4-c4ccccc4)n3)cc2)cc1.
What is the InChIKey of 5-carbazol-9-yl-2-phenyl-9-[4-phenyl-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole?
The InChIKey is NOTWDTMAVWNSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H41N5/c1-5-18-42(19-6-1)44-32-34-47(35-33-44)62-64-61(46-24-11-4-12-25-46)65-63(66-62)54-41-49(37-39-50(54)45-22-9-3-10-23-45)67-57-30-17-31-58(68-55-28-15-13-26-51(55)52-27-14-16-29-56(52)68)60(57)53-38-36-48(40-59(53)67)43-20-7-2-8-21-43/h1-41H.
What are the key properties of 5-carbazol-9-yl-2-phenyl-9-[4-phenyl-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole?
5-carbazol-9-yl-2-phenyl-9-[4-phenyl-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole has a molecular weight of 868.06 g/mol, XLogP of 16.07, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbazol-9-yl-2-phenyl-9-[4-phenyl-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole is sourced from PubChem (CID 170097918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).