2-[4-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)naphthalen-1-yl]phenyl]-4-[3-[2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-11,11-diphenylbenzo[a]fluoren-8-yl]phenyl]-6-naphthalen-2-yl-1,3,5-triazine

C120H76N6 — CID 155465388

IUPAC2-[4-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)naphthalen-1-yl]phenyl]-4-[3-[2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-11,11-diphenylbenzo[a]fluoren-8-yl]phenyl]-6-naphthalen-2-yl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc(-c5ccc6ccc7c(c6c5)C(c5ccccc5)(c5ccccc5)c5ccc(-c6cccc(-c8nc(-c9ccc(-c%10ccc(-c%11ccc%12c%13c(ccc%12c%11)-c%11ccccc%11C%13(c%11ccccc%11)c%11ccccc%11)c%11ccccc%10%11)cc9)nc(-c9ccc%10ccccc%10c9)n8)c6)cc5-7)c4)cc3)n2)cc1
InChIInChI=1S/C120H76N6/c1-7-28-81(29-8-1)113-121-114(82-30-9-2-10-31-82)123-115(122-113)83-55-49-78(50-56-83)86-33-25-34-87(71-86)89-59-54-80-61-66-106-108-76-90(64-70-110(108)120(112(106)107(80)75-89,97-41-15-5-16-42-97)98-43-17-6-18-44-98)88-35-26-36-93(73-88)117-124-116(125-118(126-117)94-60-51-77-27-19-20-32-85(77)72-94)84-57-52-79(53-58-84)99-68-69-100(103-46-22-21-45-102(99)103)91-62-65-101-92(74-91)63-67-105-104-47-23-24-48-109(104)119(111(101)105,95-37-11-3-12-38-95)96-39-13-4-14-40-96/h1-76H
InChIKeyMZWVTPOIFALEBY-UHFFFAOYSA-N
MW1601.97 g/mol
LogP29.73
Rot. Bonds15

About 2-[4-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)naphthalen-1-yl]phenyl]-4-[3-[2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-11,11-diphenylbenzo[a]fluoren-8-yl]phenyl]-6-naphthalen-2-yl-1,3,5-triazine

2-[4-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)naphthalen-1-yl]phenyl]-4-[3-[2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-11,11-diphenylbenzo[a]fluoren-8-yl]phenyl]-6-naphthalen-2-yl-1,3,5-triazine (PubChem CID 155465388) has the molecular formula C120H76N6 and a molecular weight of 1601.97 g/mol. Its IUPAC name is 2-[4-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)naphthalen-1-yl]phenyl]-4-[3-[2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-11,11-diphenylbenzo[a]fluoren-8-yl]phenyl]-6-naphthalen-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)naphthalen-1-yl]phenyl]-4-[3-[2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-11,11-diphenylbenzo[a]fluoren-8-yl]phenyl]-6-naphthalen-2-yl-1,3,5-triazine
PubChem CID155465388
Molecular FormulaC120H76N6
Molecular Weight1601.97 g/mol
Exact Mass1600.61
IUPAC Name2-[4-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)naphthalen-1-yl]phenyl]-4-[3-[2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-11,11-diphenylbenzo[a]fluoren-8-yl]phenyl]-6-naphthalen-2-yl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc(-c5ccc6ccc7c(c6c5)C(c5ccccc5)(c5ccccc5)c5ccc(-c6cccc(-c8nc(-c9ccc(-c%10ccc(-c%11ccc%12c%13c(ccc%12c%11)-c%11ccccc%11C%13(c%11ccccc%11)c%11ccccc%11)c%11ccccc%10%11)cc9)nc(-c9ccc%10ccccc%10c9)n8)c6)cc5-7)c4)cc3)n2)cc1
InChIInChI=1S/C120H76N6/c1-7-28-81(29-8-1)113-121-114(82-30-9-2-10-31-82)123-115(122-113)83-55-49-78(50-56-83)86-33-25-34-87(71-86)89-59-54-80-61-66-106-108-76-90(64-70-110(108)120(112(106)107(80)75-89,97-41-15-5-16-42-97)98-43-17-6-18-44-98)88-35-26-36-93(73-88)117-124-116(125-118(126-117)94-60-51-77-27-19-20-32-85(77)72-94)84-57-52-79(53-58-84)99-68-69-100(103-46-22-21-45-102(99)103)91-62-65-101-92(74-91)63-67-105-104-47-23-24-48-109(104)119(111(101)105,95-37-11-3-12-38-95)96-39-13-4-14-40-96/h1-76H
InChIKeyMZWVTPOIFALEBY-UHFFFAOYSA-N
XLogP29.73
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms126
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001601.97
LogP ≤ 529.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)naphthalen-1-yl]phenyl]-4-[3-[2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-11,11-diphenylbenzo[a]fluoren-8-yl]phenyl]-6-naphthalen-2-yl-1,3,5-triazine with MolForge

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Related Compounds

2-[4-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)naphthalen-1-yl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 155465924
2-(11,11-diphenylbenzo[a]fluoren-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-(11,11-diphenylbenzo[a]fluoren-3-yl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine;2-(11,11-diphenylbenzo[a]fluoren-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 160936600
2-[2-[3-(11,11-diphenylbenzo[a]fluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(11,11-diphenylbenzo[a]fluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(11,11-diphenylbenzo[a]fluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 160720509
2-(8-naphthalen-1-yl-11,11-diphenylbenzo[a]fluoren-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 155465843
2-[2-[3-(11,11-diphenylbenzo[a]fluoren-3-yl)phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[3-[3-(11,11-diphenylbenzo[a]fluoren-3-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 158922421
2-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)naphthalen-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 155465377
2-(11,11-diphenylbenzo[a]fluoren-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 155465659
2,4-diphenyl-6-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-ylphenyl)-1,3,5-triazine
CID 137494788
3-(3,5-dinaphthalen-2-ylphenyl)-11,11-diphenylbenzo[a]fluorene
CID 166034195
2-(2,4-diphenylphenyl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2-naphthalen-2-yl-4-phenanthren-2-yl-6-[4-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenanthren-9-yl-6-[4-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine
CID 165003640
2-[3-(9,9-diphenylfluoren-2-yl)-5-naphthalen-1-ylphenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 171592300
2-(11,11-diphenylbenzo[a]fluoren-3-yl)-4,6-dinaphthalen-1-ylpyrimidine
CID 155465679

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)naphthalen-1-yl]phenyl]-4-[3-[2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-11,11-diphenylbenzo[a]fluoren-8-yl]phenyl]-6-naphthalen-2-yl-1,3,5-triazine?
The IUPAC name of 2-[4-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)naphthalen-1-yl]phenyl]-4-[3-[2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-11,11-diphenylbenzo[a]fluoren-8-yl]phenyl]-6-naphthalen-2-yl-1,3,5-triazine (CID 155465388) is 2-[4-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)naphthalen-1-yl]phenyl]-4-[3-[2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-11,11-diphenylbenzo[a]fluoren-8-yl]phenyl]-6-naphthalen-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-[4-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)naphthalen-1-yl]phenyl]-4-[3-[2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-11,11-diphenylbenzo[a]fluoren-8-yl]phenyl]-6-naphthalen-2-yl-1,3,5-triazine?
The canonical SMILES for 2-[4-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)naphthalen-1-yl]phenyl]-4-[3-[2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-11,11-diphenylbenzo[a]fluoren-8-yl]phenyl]-6-naphthalen-2-yl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc(-c5ccc6ccc7c(c6c5)C(c5ccccc5)(c5ccccc5)c5ccc(-c6cccc(-c8nc(-c9ccc(-c%10ccc(-c%11ccc%12c%13c(ccc%12c%11)-c%11ccccc%11C%13(c%11ccccc%11)c%11ccccc%11)c%11ccccc%10%11)cc9)nc(-c9ccc%10ccccc%10c9)n8)c6)cc5-7)c4)cc3)n2)cc1.
What is the InChIKey of 2-[4-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)naphthalen-1-yl]phenyl]-4-[3-[2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-11,11-diphenylbenzo[a]fluoren-8-yl]phenyl]-6-naphthalen-2-yl-1,3,5-triazine?
The InChIKey is MZWVTPOIFALEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C120H76N6/c1-7-28-81(29-8-1)113-121-114(82-30-9-2-10-31-82)123-115(122-113)83-55-49-78(50-56-83)86-33-25-34-87(71-86)89-59-54-80-61-66-106-108-76-90(64-70-110(108)120(112(106)107(80)75-89,97-41-15-5-16-42-97)98-43-17-6-18-44-98)88-35-26-36-93(73-88)117-124-116(125-118(126-117)94-60-51-77-27-19-20-32-85(77)72-94)84-57-52-79(53-58-84)99-68-69-100(103-46-22-21-45-102(99)103)91-62-65-101-92(74-91)63-67-105-104-47-23-24-48-109(104)119(111(101)105,95-37-11-3-12-38-95)96-39-13-4-14-40-96/h1-76H.
What are the key properties of 2-[4-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)naphthalen-1-yl]phenyl]-4-[3-[2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-11,11-diphenylbenzo[a]fluoren-8-yl]phenyl]-6-naphthalen-2-yl-1,3,5-triazine?
2-[4-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)naphthalen-1-yl]phenyl]-4-[3-[2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-11,11-diphenylbenzo[a]fluoren-8-yl]phenyl]-6-naphthalen-2-yl-1,3,5-triazine has a molecular weight of 1601.97 g/mol, XLogP of 29.73, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)naphthalen-1-yl]phenyl]-4-[3-[2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-11,11-diphenylbenzo[a]fluoren-8-yl]phenyl]-6-naphthalen-2-yl-1,3,5-triazine is sourced from PubChem (CID 155465388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).