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

C54H35N3 — CID 164829465

IUPAC2-(11,11-diphenylbenzo[b]fluoren-3-yl)-4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5c(c4)-c4cc6ccccc6cc4C5(c4ccccc4)c4ccccc4)nc(-c4cccc5ccccc45)n3)cc2)cc1
InChIInChI=1S/C54H35N3/c1-4-15-36(16-5-1)37-27-29-39(30-28-37)51-55-52(57-53(56-51)46-26-14-20-38-17-12-13-25-45(38)46)42-31-32-49-47(34-42)48-33-40-18-10-11-19-41(40)35-50(48)54(49,43-21-6-2-7-22-43)44-23-8-3-9-24-44/h1-35H
InChIKeyCXVUREXISOEAJW-UHFFFAOYSA-N
MW725.90 g/mol
LogP13.21
Rot. Bonds6

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

2-(11,11-diphenylbenzo[b]fluoren-3-yl)-4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 164829465) has the molecular formula C54H35N3 and a molecular weight of 725.90 g/mol. Its IUPAC name is 2-(11,11-diphenylbenzo[b]fluoren-3-yl)-4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(11,11-diphenylbenzo[b]fluoren-3-yl)-4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID164829465
Molecular FormulaC54H35N3
Molecular Weight725.90 g/mol
Exact Mass725.28
IUPAC Name2-(11,11-diphenylbenzo[b]fluoren-3-yl)-4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5c(c4)-c4cc6ccccc6cc4C5(c4ccccc4)c4ccccc4)nc(-c4cccc5ccccc45)n3)cc2)cc1
InChIInChI=1S/C54H35N3/c1-4-15-36(16-5-1)37-27-29-39(30-28-37)51-55-52(57-53(56-51)46-26-14-20-38-17-12-13-25-45(38)46)42-31-32-49-47(34-42)48-33-40-18-10-11-19-41(40)35-50(48)54(49,43-21-6-2-7-22-43)44-23-8-3-9-24-44/h1-35H
InChIKeyCXVUREXISOEAJW-UHFFFAOYSA-N
XLogP13.21
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.90
LogP ≤ 513.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(11,11-diphenylbenzo[b]fluoren-8-yl)-4,6-dinaphthalen-1-yl-1,3,5-triazine
CID 155465716
2-(11,11-diphenylbenzo[b]fluoren-9-yl)-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 155465435
2-(9,9-diphenylfluoren-3-yl)-4-(4-naphthalen-1-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine
CID 176588146
2-(9,9-diphenylfluoren-2-yl)-4-phenanthren-1-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 122416383
2-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-naphthalen-1-yl-6-phenanthren-9-yl-1,3,5-triazine
CID 122416420
2-(9,9-diphenylfluoren-3-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 122416353
2-[4-(3-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-(3-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(3-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 157208810
2-[3-[3-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 159194371
2-(8-naphthalen-1-yl-11,11-diphenylbenzo[a]fluoren-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 155465843
2-[3-(9,9-diphenylfluoren-4-yl)phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 146649016
2-[4-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121450656
2-[3-[3-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;methane
CID 161211377

Frequently Asked Questions

What is the IUPAC name of 2-(11,11-diphenylbenzo[b]fluoren-3-yl)-4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(11,11-diphenylbenzo[b]fluoren-3-yl)-4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazine (CID 164829465) is 2-(11,11-diphenylbenzo[b]fluoren-3-yl)-4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(11,11-diphenylbenzo[b]fluoren-3-yl)-4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(11,11-diphenylbenzo[b]fluoren-3-yl)-4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccc5c(c4)-c4cc6ccccc6cc4C5(c4ccccc4)c4ccccc4)nc(-c4cccc5ccccc45)n3)cc2)cc1.
What is the InChIKey of 2-(11,11-diphenylbenzo[b]fluoren-3-yl)-4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is CXVUREXISOEAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N3/c1-4-15-36(16-5-1)37-27-29-39(30-28-37)51-55-52(57-53(56-51)46-26-14-20-38-17-12-13-25-45(38)46)42-31-32-49-47(34-42)48-33-40-18-10-11-19-41(40)35-50(48)54(49,43-21-6-2-7-22-43)44-23-8-3-9-24-44/h1-35H.
What are the key properties of 2-(11,11-diphenylbenzo[b]fluoren-3-yl)-4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazine?
2-(11,11-diphenylbenzo[b]fluoren-3-yl)-4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 725.90 g/mol, XLogP of 13.21, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(11,11-diphenylbenzo[b]fluoren-3-yl)-4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 164829465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).