2-[3-[4-phenyl-6-[4-[3-[4-[3-[4-[4-phenyl-6-[4-(1-pyridin-4-ylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-6-[4-(1-pyridin-3-ylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1-pyridin-4-ylbenzimidazole

C99H62N18 — CID 155173912

IUPAC2-[3-[4-phenyl-6-[4-[3-[4-[3-[4-[4-phenyl-6-[4-(1-pyridin-4-ylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-6-[4-(1-pyridin-3-ylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1-pyridin-4-ylbenzimidazole
SMILESc1ccc(-c2nc(-c3ccc(-c4cccc(-c5nc(-c6ccc(-c7nc8ccccc8n7-c7cccnc7)cc6)nc(-c6cccc(-c7ccc(-c8nc(-c9ccccc9)nc(-c9cccc(-c%10nc%11ccccc%11n%10-c%10ccncc%10)c9)n8)cc7)c6)n5)c4)cc3)nc(-c3ccc(-c4nc5ccccc5n4-c4ccncc4)cc3)n2)cc1
InChIInChI=1S/C99H62N18/c1-3-17-65(18-4-1)88-106-90(109-91(107-88)69-42-46-71(47-43-69)97-103-82-28-7-10-31-85(82)115(97)79-50-55-100-56-51-79)67-38-34-63(35-39-67)73-21-13-23-75(59-73)94-112-93(70-44-48-72(49-45-70)98-104-84-30-9-12-33-87(84)117(98)81-27-16-54-102-62-81)113-95(114-94)76-24-14-22-74(60-76)64-36-40-68(41-37-64)92-108-89(66-19-5-2-6-20-66)110-96(111-92)77-25-15-26-78(61-77)99-105-83-29-8-11-32-86(83)116(99)80-52-57-101-58-53-80/h1-62H
InChIKeyKVEXNEXIIXXSRP-UHFFFAOYSA-N
MW1503.71 g/mol
LogP21.78
Rot. Bonds17

About 2-[3-[4-phenyl-6-[4-[3-[4-[3-[4-[4-phenyl-6-[4-(1-pyridin-4-ylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-6-[4-(1-pyridin-3-ylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1-pyridin-4-ylbenzimidazole

2-[3-[4-phenyl-6-[4-[3-[4-[3-[4-[4-phenyl-6-[4-(1-pyridin-4-ylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-6-[4-(1-pyridin-3-ylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1-pyridin-4-ylbenzimidazole (PubChem CID 155173912) has the molecular formula C99H62N18 and a molecular weight of 1503.71 g/mol. Its IUPAC name is 2-[3-[4-phenyl-6-[4-[3-[4-[3-[4-[4-phenyl-6-[4-(1-pyridin-4-ylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-6-[4-(1-pyridin-3-ylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1-pyridin-4-ylbenzimidazole.

Molecular Properties

Compound Name2-[3-[4-phenyl-6-[4-[3-[4-[3-[4-[4-phenyl-6-[4-(1-pyridin-4-ylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-6-[4-(1-pyridin-3-ylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1-pyridin-4-ylbenzimidazole
PubChem CID155173912
Molecular FormulaC99H62N18
Molecular Weight1503.71 g/mol
Exact Mass1502.54
IUPAC Name2-[3-[4-phenyl-6-[4-[3-[4-[3-[4-[4-phenyl-6-[4-(1-pyridin-4-ylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-6-[4-(1-pyridin-3-ylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1-pyridin-4-ylbenzimidazole
SMILESc1ccc(-c2nc(-c3ccc(-c4cccc(-c5nc(-c6ccc(-c7nc8ccccc8n7-c7cccnc7)cc6)nc(-c6cccc(-c7ccc(-c8nc(-c9ccccc9)nc(-c9cccc(-c%10nc%11ccccc%11n%10-c%10ccncc%10)c9)n8)cc7)c6)n5)c4)cc3)nc(-c3ccc(-c4nc5ccccc5n4-c4ccncc4)cc3)n2)cc1
InChIInChI=1S/C99H62N18/c1-3-17-65(18-4-1)88-106-90(109-91(107-88)69-42-46-71(47-43-69)97-103-82-28-7-10-31-85(82)115(97)79-50-55-100-56-51-79)67-38-34-63(35-39-67)73-21-13-23-75(59-73)94-112-93(70-44-48-72(49-45-70)98-104-84-30-9-12-33-87(84)117(98)81-27-16-54-102-62-81)113-95(114-94)76-24-14-22-74(60-76)64-36-40-68(41-37-64)92-108-89(66-19-5-2-6-20-66)110-96(111-92)77-25-15-26-78(61-77)99-105-83-29-8-11-32-86(83)116(99)80-52-57-101-58-53-80/h1-62H
InChIKeyKVEXNEXIIXXSRP-UHFFFAOYSA-N
XLogP21.78
TPSA208.14 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds17
Heavy Atoms117
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001503.71
LogP ≤ 521.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 2-[3-[4-phenyl-6-[4-[3-[4-[3-[4-[4-phenyl-6-[4-(1-pyridin-4-ylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-6-[4-(1-pyridin-3-ylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1-pyridin-4-ylbenzimidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-phenyl-6-[4-[3-[4-[3-[4-[4-phenyl-6-[4-(1-pyridin-4-ylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-6-[4-(1-pyridin-3-ylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1-pyridin-4-ylbenzimidazole?
The IUPAC name of 2-[3-[4-phenyl-6-[4-[3-[4-[3-[4-[4-phenyl-6-[4-(1-pyridin-4-ylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-6-[4-(1-pyridin-3-ylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1-pyridin-4-ylbenzimidazole (CID 155173912) is 2-[3-[4-phenyl-6-[4-[3-[4-[3-[4-[4-phenyl-6-[4-(1-pyridin-4-ylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-6-[4-(1-pyridin-3-ylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1-pyridin-4-ylbenzimidazole.
What is the SMILES notation for 2-[3-[4-phenyl-6-[4-[3-[4-[3-[4-[4-phenyl-6-[4-(1-pyridin-4-ylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-6-[4-(1-pyridin-3-ylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1-pyridin-4-ylbenzimidazole?
The canonical SMILES for 2-[3-[4-phenyl-6-[4-[3-[4-[3-[4-[4-phenyl-6-[4-(1-pyridin-4-ylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-6-[4-(1-pyridin-3-ylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1-pyridin-4-ylbenzimidazole is c1ccc(-c2nc(-c3ccc(-c4cccc(-c5nc(-c6ccc(-c7nc8ccccc8n7-c7cccnc7)cc6)nc(-c6cccc(-c7ccc(-c8nc(-c9ccccc9)nc(-c9cccc(-c%10nc%11ccccc%11n%10-c%10ccncc%10)c9)n8)cc7)c6)n5)c4)cc3)nc(-c3ccc(-c4nc5ccccc5n4-c4ccncc4)cc3)n2)cc1.
What is the InChIKey of 2-[3-[4-phenyl-6-[4-[3-[4-[3-[4-[4-phenyl-6-[4-(1-pyridin-4-ylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-6-[4-(1-pyridin-3-ylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1-pyridin-4-ylbenzimidazole?
The InChIKey is KVEXNEXIIXXSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C99H62N18/c1-3-17-65(18-4-1)88-106-90(109-91(107-88)69-42-46-71(47-43-69)97-103-82-28-7-10-31-85(82)115(97)79-50-55-100-56-51-79)67-38-34-63(35-39-67)73-21-13-23-75(59-73)94-112-93(70-44-48-72(49-45-70)98-104-84-30-9-12-33-87(84)117(98)81-27-16-54-102-62-81)113-95(114-94)76-24-14-22-74(60-76)64-36-40-68(41-37-64)92-108-89(66-19-5-2-6-20-66)110-96(111-92)77-25-15-26-78(61-77)99-105-83-29-8-11-32-86(83)116(99)80-52-57-101-58-53-80/h1-62H.
What are the key properties of 2-[3-[4-phenyl-6-[4-[3-[4-[3-[4-[4-phenyl-6-[4-(1-pyridin-4-ylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-6-[4-(1-pyridin-3-ylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1-pyridin-4-ylbenzimidazole?
2-[3-[4-phenyl-6-[4-[3-[4-[3-[4-[4-phenyl-6-[4-(1-pyridin-4-ylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-6-[4-(1-pyridin-3-ylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1-pyridin-4-ylbenzimidazole has a molecular weight of 1503.71 g/mol, XLogP of 21.78, 17 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-phenyl-6-[4-[3-[4-[3-[4-[4-phenyl-6-[4-(1-pyridin-4-ylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-6-[4-(1-pyridin-3-ylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1-pyridin-4-ylbenzimidazole is sourced from PubChem (CID 155173912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).