9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridin-3-yl-4,5,6-tris(pyrido[3,4-b]indol-9-yl)phenyl]pyrido[3,4-b]indole

C70H42N12 — CID 151746168

IUPAC9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridin-3-yl-4,5,6-tris(pyrido[3,4-b]indol-9-yl)phenyl]pyrido[3,4-b]indole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3c(-c4cccnc4)c(-n4c5ccccc5c5ccncc54)c(-n4c5ccccc5c5ccncc54)c(-n4c5ccccc5c5ccncc54)c3-n3c4ccccc4c4ccncc43)n2)cc1
InChIInChI=1S/C70H42N12/c1-3-16-43(17-4-1)68-76-69(44-18-5-2-6-19-44)78-70(77-68)63-62(45-20-15-33-71-38-45)64(79-54-25-11-7-21-46(54)50-29-34-72-39-58(50)79)66(81-56-27-13-9-23-48(56)52-31-36-74-41-60(52)81)67(82-57-28-14-10-24-49(57)53-32-37-75-42-61(53)82)65(63)80-55-26-12-8-22-47(55)51-30-35-73-40-59(51)80/h1-42H
InChIKeyRNOIYQOBSVYZDW-UHFFFAOYSA-N
MW1051.19 g/mol
LogP15.90
Rot. Bonds8

About 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridin-3-yl-4,5,6-tris(pyrido[3,4-b]indol-9-yl)phenyl]pyrido[3,4-b]indole

9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridin-3-yl-4,5,6-tris(pyrido[3,4-b]indol-9-yl)phenyl]pyrido[3,4-b]indole (PubChem CID 151746168) has the molecular formula C70H42N12 and a molecular weight of 1051.19 g/mol. Its IUPAC name is 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridin-3-yl-4,5,6-tris(pyrido[3,4-b]indol-9-yl)phenyl]pyrido[3,4-b]indole.

Molecular Properties

Compound Name9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridin-3-yl-4,5,6-tris(pyrido[3,4-b]indol-9-yl)phenyl]pyrido[3,4-b]indole
PubChem CID151746168
Molecular FormulaC70H42N12
Molecular Weight1051.19 g/mol
Exact Mass1050.37
IUPAC Name9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridin-3-yl-4,5,6-tris(pyrido[3,4-b]indol-9-yl)phenyl]pyrido[3,4-b]indole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3c(-c4cccnc4)c(-n4c5ccccc5c5ccncc54)c(-n4c5ccccc5c5ccncc54)c(-n4c5ccccc5c5ccncc54)c3-n3c4ccccc4c4ccncc43)n2)cc1
InChIInChI=1S/C70H42N12/c1-3-16-43(17-4-1)68-76-69(44-18-5-2-6-19-44)78-70(77-68)63-62(45-20-15-33-71-38-45)64(79-54-25-11-7-21-46(54)50-29-34-72-39-58(50)79)66(81-56-27-13-9-23-48(56)52-31-36-74-41-60(52)81)67(82-57-28-14-10-24-49(57)53-32-37-75-42-61(53)82)65(63)80-55-26-12-8-22-47(55)51-30-35-73-40-59(51)80/h1-42H
InChIKeyRNOIYQOBSVYZDW-UHFFFAOYSA-N
XLogP15.90
TPSA122.84 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001051.19
LogP ≤ 515.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridin-3-yl-4,5,6-tris(pyrido[3,4-b]indol-9-yl)phenyl]pyrido[3,4-b]indole 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-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(1-phenylbenzimidazol-2-yl)-4,5,6-tris(pyrido[3,4-b]indol-9-yl)phenyl]pyrido[3,4-b]indole
CID 152623985
20-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenyl-3,6,20-triazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 139524740
bis(9-[6-carbazol-9-yl-2-(2,6-diphenylphenyl)pyrimidin-4-yl]carbazole);bis(9-[2-(2,6-diphenylphenyl)-6-pyrido[3,4-b]indol-9-ylpyrimidin-4-yl]pyrido[3,4-b]indole)
CID 165011773
5-[2-carbazol-9-yl-3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-4,5,6-tris(pyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole
CID 176634623
5-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,5,6-tris(pyrido[4,3-b]indol-5-yl)-3-pyridinyl]pyrido[4,3-b]indole
CID 151536315
3-[2,3,4,5-tetra(carbazol-9-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]cyclobuta-1,3-diene-1-carbonitrile
CID 145186377
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,6-diphenylphenyl]carbazole
CID 176765501
9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;9-[4-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-3-[9-[4-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 160869531
9-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-5-pyrido[3,4-b]indol-9-ylphenyl]pyrido[3,4-b]indole
CID 163771254
3-(9-phenylcarbazol-3-yl)-9-[2,4,6-tri(carbazol-9-yl)-3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 155138272
9-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole;9-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]pyrido[3,4-b]indole;9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 159798097
9-[3-[4,6-bis[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]pyrido[3,4-b]indole
CID 139554443

Frequently Asked Questions

What is the IUPAC name of 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridin-3-yl-4,5,6-tris(pyrido[3,4-b]indol-9-yl)phenyl]pyrido[3,4-b]indole?
The IUPAC name of 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridin-3-yl-4,5,6-tris(pyrido[3,4-b]indol-9-yl)phenyl]pyrido[3,4-b]indole (CID 151746168) is 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridin-3-yl-4,5,6-tris(pyrido[3,4-b]indol-9-yl)phenyl]pyrido[3,4-b]indole.
What is the SMILES notation for 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridin-3-yl-4,5,6-tris(pyrido[3,4-b]indol-9-yl)phenyl]pyrido[3,4-b]indole?
The canonical SMILES for 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridin-3-yl-4,5,6-tris(pyrido[3,4-b]indol-9-yl)phenyl]pyrido[3,4-b]indole is c1ccc(-c2nc(-c3ccccc3)nc(-c3c(-c4cccnc4)c(-n4c5ccccc5c5ccncc54)c(-n4c5ccccc5c5ccncc54)c(-n4c5ccccc5c5ccncc54)c3-n3c4ccccc4c4ccncc43)n2)cc1.
What is the InChIKey of 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridin-3-yl-4,5,6-tris(pyrido[3,4-b]indol-9-yl)phenyl]pyrido[3,4-b]indole?
The InChIKey is RNOIYQOBSVYZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H42N12/c1-3-16-43(17-4-1)68-76-69(44-18-5-2-6-19-44)78-70(77-68)63-62(45-20-15-33-71-38-45)64(79-54-25-11-7-21-46(54)50-29-34-72-39-58(50)79)66(81-56-27-13-9-23-48(56)52-31-36-74-41-60(52)81)67(82-57-28-14-10-24-49(57)53-32-37-75-42-61(53)82)65(63)80-55-26-12-8-22-47(55)51-30-35-73-40-59(51)80/h1-42H.
What are the key properties of 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridin-3-yl-4,5,6-tris(pyrido[3,4-b]indol-9-yl)phenyl]pyrido[3,4-b]indole?
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridin-3-yl-4,5,6-tris(pyrido[3,4-b]indol-9-yl)phenyl]pyrido[3,4-b]indole has a molecular weight of 1051.19 g/mol, XLogP of 15.90, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridin-3-yl-4,5,6-tris(pyrido[3,4-b]indol-9-yl)phenyl]pyrido[3,4-b]indole is sourced from PubChem (CID 151746168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).