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

C60H39N3 — CID 155465377

IUPAC2-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)naphthalen-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc(-c5ccc6c7c(ccc6c5)-c5ccccc5C7(c5ccccc5)c5ccccc5)c5ccccc5c4)n3)cc2)cc1
InChIInChI=1S/C60H39N3/c1-5-17-40(18-6-1)41-29-31-43(32-30-41)58-61-57(42-19-7-2-8-20-42)62-59(63-58)47-38-44-21-13-14-26-50(44)54(39-47)46-33-35-51-45(37-46)34-36-53-52-27-15-16-28-55(52)60(56(51)53,48-22-9-3-10-23-48)49-24-11-4-12-25-49/h1-39H
InChIKeyGKHKFAYLMROECV-UHFFFAOYSA-N
MW801.99 g/mol
LogP14.88
Rot. Bonds7

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

2-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)naphthalen-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 155465377) has the molecular formula C60H39N3 and a molecular weight of 801.99 g/mol. Its IUPAC name is 2-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)naphthalen-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)naphthalen-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID155465377
Molecular FormulaC60H39N3
Molecular Weight801.99 g/mol
Exact Mass801.31
IUPAC Name2-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)naphthalen-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc(-c5ccc6c7c(ccc6c5)-c5ccccc5C7(c5ccccc5)c5ccccc5)c5ccccc5c4)n3)cc2)cc1
InChIInChI=1S/C60H39N3/c1-5-17-40(18-6-1)41-29-31-43(32-30-41)58-61-57(42-19-7-2-8-20-42)62-59(63-58)47-38-44-21-13-14-26-50(44)54(39-47)46-33-35-51-45(37-46)34-36-53-52-27-15-16-28-55(52)60(56(51)53,48-22-9-3-10-23-48)49-24-11-4-12-25-49/h1-39H
InChIKeyGKHKFAYLMROECV-UHFFFAOYSA-N
XLogP14.88
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.99
LogP ≤ 514.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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-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-dimethylbenzo[a]fluoren-3-yl)naphthalen-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 155465824
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
3-phenanthren-9-yl-11,11-diphenylbenzo[a]fluorene
CID 166034552
2-(11,11-diphenylbenzo[a]fluoren-3-yl)-4,6-dinaphthalen-1-ylpyrimidine
CID 155465679
2-[4-(11,11-dimethylbenzo[a]fluoren-3-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[4-(11,11-dimethylbenzo[a]fluoren-3-yl)naphthalen-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[4-(11,11-dimethylbenzo[a]fluoren-4-yl)phenyl]-4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazine
CID 161010787
2-(11,11-diphenylbenzo[a]fluoren-3-yl)-4-naphthalen-1-yl-6-phenylpyrimidine
CID 155465809
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-(11,11-diphenylbenzo[a]fluoren-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 155465659
2-(8-naphthalen-1-yl-11,11-diphenylbenzo[a]fluoren-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 155465843

Frequently Asked Questions

What is the IUPAC name of 2-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)naphthalen-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)naphthalen-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (CID 155465377) is 2-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)naphthalen-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)naphthalen-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)naphthalen-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc(-c5ccc6c7c(ccc6c5)-c5ccccc5C7(c5ccccc5)c5ccccc5)c5ccccc5c4)n3)cc2)cc1.
What is the InChIKey of 2-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)naphthalen-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is GKHKFAYLMROECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39N3/c1-5-17-40(18-6-1)41-29-31-43(32-30-41)58-61-57(42-19-7-2-8-20-42)62-59(63-58)47-38-44-21-13-14-26-50(44)54(39-47)46-33-35-51-45(37-46)34-36-53-52-27-15-16-28-55(52)60(56(51)53,48-22-9-3-10-23-48)49-24-11-4-12-25-49/h1-39H.
What are the key properties of 2-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)naphthalen-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
2-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)naphthalen-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 801.99 g/mol, XLogP of 14.88, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)naphthalen-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 155465377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).