2-[4-[7-[3-[4-[4-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-10-phenylfluoranthen-3-yl]phenyl]-1-phenylbenzimidazole

C84H53N5 — CID 126517504

IUPAC2-[4-[7-[3-[4-[4-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-10-phenylfluoranthen-3-yl]phenyl]-1-phenylbenzimidazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccc(-c6cccc(-c7ccc(-c8ccccc8)c8c7-c7cccc9c(-c%10ccc(-c%11nc%12ccccc%12n%11-c%11ccccc%11)cc%10)ccc-8c79)c6)cc5)cc4)nc(-c4cccc5ccccc45)n3)cc2)cc1
InChIInChI=1S/C84H53N5/c1-4-17-54(18-5-1)55-37-43-62(44-38-55)81-86-82(88-83(87-81)73-29-15-22-59-21-10-11-27-68(59)73)63-45-39-57(40-46-63)56-33-35-58(36-34-56)65-23-14-24-66(53-65)71-51-50-70(60-19-6-2-7-20-60)79-75-52-49-69(72-28-16-30-74(78(72)75)80(71)79)61-41-47-64(48-42-61)84-85-76-31-12-13-32-77(76)89(84)67-25-8-3-9-26-67/h1-53H
InChIKeyLQVXSPZLHOIJEM-UHFFFAOYSA-N
MW1132.38 g/mol
LogP21.83
Rot. Bonds11

About 2-[4-[7-[3-[4-[4-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-10-phenylfluoranthen-3-yl]phenyl]-1-phenylbenzimidazole

2-[4-[7-[3-[4-[4-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-10-phenylfluoranthen-3-yl]phenyl]-1-phenylbenzimidazole (PubChem CID 126517504) has the molecular formula C84H53N5 and a molecular weight of 1132.38 g/mol. Its IUPAC name is 2-[4-[7-[3-[4-[4-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-10-phenylfluoranthen-3-yl]phenyl]-1-phenylbenzimidazole.

Molecular Properties

Compound Name2-[4-[7-[3-[4-[4-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-10-phenylfluoranthen-3-yl]phenyl]-1-phenylbenzimidazole
PubChem CID126517504
Molecular FormulaC84H53N5
Molecular Weight1132.38 g/mol
Exact Mass1131.43
IUPAC Name2-[4-[7-[3-[4-[4-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-10-phenylfluoranthen-3-yl]phenyl]-1-phenylbenzimidazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccc(-c6cccc(-c7ccc(-c8ccccc8)c8c7-c7cccc9c(-c%10ccc(-c%11nc%12ccccc%12n%11-c%11ccccc%11)cc%10)ccc-8c79)c6)cc5)cc4)nc(-c4cccc5ccccc45)n3)cc2)cc1
InChIInChI=1S/C84H53N5/c1-4-17-54(18-5-1)55-37-43-62(44-38-55)81-86-82(88-83(87-81)73-29-15-22-59-21-10-11-27-68(59)73)63-45-39-57(40-46-63)56-33-35-58(36-34-56)65-23-14-24-66(53-65)71-51-50-70(60-19-6-2-7-20-60)79-75-52-49-69(72-28-16-30-74(78(72)75)80(71)79)61-41-47-64(48-42-61)84-85-76-31-12-13-32-77(76)89(84)67-25-8-3-9-26-67/h1-53H
InChIKeyLQVXSPZLHOIJEM-UHFFFAOYSA-N
XLogP21.83
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001132.38
LogP ≤ 521.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-[7-[3-[4-[4-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-10-phenylfluoranthen-3-yl]phenyl]-1-phenylbenzimidazole with MolForge

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Related Compounds

2-[4-[10-[3-[3-[4-(15,15-dimethyl-10-phenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-7-phenylfluoranthen-3-yl]phenyl]-1-phenylbenzimidazole
CID 126612641
2-[4-[4-[7,10-di(phenanthren-2-yl)-9-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-3-(4-phenylphenyl)fluoranthen-8-yl]phenyl]phenyl]-1-phenylbenzimidazole
CID 148846094
2,4-bis(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-1-phenylbenzimidazole;methane
CID 160785329
1-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-2-phenylbenzimidazole
CID 67991412
1,2-bis(4-naphthalen-1-ylphenyl)benzimidazole
CID 58106321
1-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-2-phenylbenzimidazole
CID 58953721
2-(15,15-dimethyl-10-phenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)-4,6-diphenyl-1,3,5-triazine;2-[4-(7,10-diphenylfluoranthen-3-yl)phenyl]-1-phenylbenzimidazole;2-naphthalen-1-yl-4-(4-phenylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;4-naphthalen-1-yl-2-(4-pyridin-3-ylphenyl)benzo[h]quinazoline
CID 161103608
2-[4-[3-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1-phenylbenzimidazole;2-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1-phenylbenzimidazole;1-phenyl-2-[4-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]phenyl]benzimidazole;1-phenyl-2-[4-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]benzimidazole
CID 161378320
1-[4-(9,9-diethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]-2-phenylbenzimidazole
CID 143828917
5-[4-(6-naphthalen-1-yl-9,10-diphenylanthracen-2-yl)phenyl]-1,2-diphenylbenzimidazole
CID 58953645
2-[3,5-bis(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]-1-phenylbenzimidazole
CID 71104991
4-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine;4-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine;4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine
CID 162128056

Frequently Asked Questions

What is the IUPAC name of 2-[4-[7-[3-[4-[4-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-10-phenylfluoranthen-3-yl]phenyl]-1-phenylbenzimidazole?
The IUPAC name of 2-[4-[7-[3-[4-[4-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-10-phenylfluoranthen-3-yl]phenyl]-1-phenylbenzimidazole (CID 126517504) is 2-[4-[7-[3-[4-[4-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-10-phenylfluoranthen-3-yl]phenyl]-1-phenylbenzimidazole.
What is the SMILES notation for 2-[4-[7-[3-[4-[4-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-10-phenylfluoranthen-3-yl]phenyl]-1-phenylbenzimidazole?
The canonical SMILES for 2-[4-[7-[3-[4-[4-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-10-phenylfluoranthen-3-yl]phenyl]-1-phenylbenzimidazole is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccc(-c6cccc(-c7ccc(-c8ccccc8)c8c7-c7cccc9c(-c%10ccc(-c%11nc%12ccccc%12n%11-c%11ccccc%11)cc%10)ccc-8c79)c6)cc5)cc4)nc(-c4cccc5ccccc45)n3)cc2)cc1.
What is the InChIKey of 2-[4-[7-[3-[4-[4-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-10-phenylfluoranthen-3-yl]phenyl]-1-phenylbenzimidazole?
The InChIKey is LQVXSPZLHOIJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H53N5/c1-4-17-54(18-5-1)55-37-43-62(44-38-55)81-86-82(88-83(87-81)73-29-15-22-59-21-10-11-27-68(59)73)63-45-39-57(40-46-63)56-33-35-58(36-34-56)65-23-14-24-66(53-65)71-51-50-70(60-19-6-2-7-20-60)79-75-52-49-69(72-28-16-30-74(78(72)75)80(71)79)61-41-47-64(48-42-61)84-85-76-31-12-13-32-77(76)89(84)67-25-8-3-9-26-67/h1-53H.
What are the key properties of 2-[4-[7-[3-[4-[4-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-10-phenylfluoranthen-3-yl]phenyl]-1-phenylbenzimidazole?
2-[4-[7-[3-[4-[4-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-10-phenylfluoranthen-3-yl]phenyl]-1-phenylbenzimidazole has a molecular weight of 1132.38 g/mol, XLogP of 21.83, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[7-[3-[4-[4-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-10-phenylfluoranthen-3-yl]phenyl]-1-phenylbenzimidazole is sourced from PubChem (CID 126517504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).