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

C70H42N12 — CID 151536315

IUPAC5-[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
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3c(-n4c5ccccc5c5cnccc54)c(-n4c5ccccc5c5cnccc54)nc(-n4c5ccccc5c5cnccc54)c3-n3c4ccccc4c4cnccc43)n2)cc1
InChIInChI=1S/C70H42N12/c1-3-17-43(18-4-1)66-75-67(44-19-5-2-6-20-44)77-68(76-66)50-26-8-7-25-49(50)63-64(79-55-27-13-9-21-45(55)51-39-71-35-31-59(51)79)69(81-57-29-15-11-23-47(57)53-41-73-37-33-61(53)81)78-70(82-58-30-16-12-24-48(58)54-42-74-38-34-62(54)82)65(63)80-56-28-14-10-22-46(56)52-40-72-36-32-60(52)80/h1-42H
InChIKeyPXNUHPBHDZVACP-UHFFFAOYSA-N
MW1051.19 g/mol
LogP15.90
Rot. Bonds8

About 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

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 (PubChem CID 151536315) has the molecular formula C70H42N12 and a molecular weight of 1051.19 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[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
PubChem CID151536315
Molecular FormulaC70H42N12
Molecular Weight1051.19 g/mol
Exact Mass1050.37
IUPAC Name5-[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
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3c(-n4c5ccccc5c5cnccc54)c(-n4c5ccccc5c5cnccc54)nc(-n4c5ccccc5c5cnccc54)c3-n3c4ccccc4c4cnccc43)n2)cc1
InChIInChI=1S/C70H42N12/c1-3-17-43(18-4-1)66-75-67(44-19-5-2-6-20-44)77-68(76-66)50-26-8-7-25-49(50)63-64(79-55-27-13-9-21-45(55)51-39-71-35-31-59(51)79)69(81-57-29-15-11-23-47(57)53-41-73-37-33-61(53)81)78-70(82-58-30-16-12-24-48(58)54-42-74-38-34-62(54)82)65(63)80-56-28-14-10-22-46(56)52-40-72-36-32-60(52)80/h1-42H
InChIKeyPXNUHPBHDZVACP-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 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 with MolForge

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Related Compounds

9-[4-[2,3-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,5,6-tri(carbazol-9-yl)-3-pyridinyl]carbazole
CID 158442826
5-[4-[2-(2,6-dimethyl-4-pyridinyl)phenyl]-2,5,6-tris(pyrido[4,3-b]indol-5-yl)-3-pyridinyl]pyrido[4,3-b]indole
CID 150579110
5-[2-(3,6-diphenylcarbazol-9-yl)-4-(2-methylphenyl)-5,6-bis(pyrido[4,3-b]indol-5-yl)-3-pyridinyl]pyrido[4,3-b]indole
CID 151566908
5-[2-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]pyrido[4,3-b]indole
CID 176634765
9-[2,5,6-tri(carbazol-9-yl)-4-(2-pyridin-4-ylphenyl)-3-pyridinyl]carbazole
CID 151269669
5-[4-dibenzothiophen-4-yl-2,6-bis(3,6-diphenylcarbazol-9-yl)-5-pyrido[4,3-b]indol-5-yl-3-pyridinyl]pyrido[4,3-b]indole
CID 150006227
3-[2,3,5,6-tetrakis(pyrido[4,3-b]indol-5-yl)-4-pyridinyl]benzonitrile
CID 170438068
5-[2-[4-phenyl-6-(4-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]pyrido[4,3-b]indole
CID 176634797
5-[2-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-4-pyrido[4,3-b]indol-5-ylphenyl]pyrido[4,3-b]indole
CID 176634658
9-[3-carbazol-9-yl-4,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]carbazole
CID 177087593
5-[2-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-6-(9,9-dimethylfluoren-3-yl)phenyl]pyrido[4,3-b]indole
CID 176634741
5-[5,6-bis[4-(3,6-diphenylcarbazol-9-yl)phenyl]-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]pyrido[4,3-b]indole
CID 150070640

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3c(-n4c5ccccc5c5cnccc54)c(-n4c5ccccc5c5cnccc54)nc(-n4c5ccccc5c5cnccc54)c3-n3c4ccccc4c4cnccc43)n2)cc1.
What is the InChIKey of 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?
The InChIKey is PXNUHPBHDZVACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H42N12/c1-3-17-43(18-4-1)66-75-67(44-19-5-2-6-20-44)77-68(76-66)50-26-8-7-25-49(50)63-64(79-55-27-13-9-21-45(55)51-39-71-35-31-59(51)79)69(81-57-29-15-11-23-47(57)53-41-73-37-33-61(53)81)78-70(82-58-30-16-12-24-48(58)54-42-74-38-34-62(54)82)65(63)80-56-28-14-10-22-46(56)52-40-72-36-32-60(52)80/h1-42H.
What are the key properties of 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?
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 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 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 is sourced from PubChem (CID 151536315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).