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

C52H33N3 — CID 146261780

IUPAC2-(11,11-diphenylbenzo[b]fluoren-5-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c2cc2ccccc2c3-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C52H33N3/c1-3-20-41(21-4-1)52(42-22-5-2-6-23-42)45-26-14-13-25-44(45)47-46(52)33-38-19-11-12-24-43(38)48(47)51-54-49(39-29-27-34-15-7-9-17-36(34)31-39)53-50(55-51)40-30-28-35-16-8-10-18-37(35)32-40/h1-33H
InChIKeyARLFKPAUMPSOPE-UHFFFAOYSA-N
MW699.86 g/mol
LogP12.70
Rot. Bonds5

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

2-(11,11-diphenylbenzo[b]fluoren-5-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine (PubChem CID 146261780) has the molecular formula C52H33N3 and a molecular weight of 699.86 g/mol. Its IUPAC name is 2-(11,11-diphenylbenzo[b]fluoren-5-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-(11,11-diphenylbenzo[b]fluoren-5-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
PubChem CID146261780
Molecular FormulaC52H33N3
Molecular Weight699.86 g/mol
Exact Mass699.27
IUPAC Name2-(11,11-diphenylbenzo[b]fluoren-5-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c2cc2ccccc2c3-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C52H33N3/c1-3-20-41(21-4-1)52(42-22-5-2-6-23-42)45-26-14-13-25-44(45)47-46(52)33-38-19-11-12-24-43(38)48(47)51-54-49(39-29-27-34-15-7-9-17-36(34)31-39)53-50(55-51)40-30-28-35-16-8-10-18-37(35)32-40/h1-33H
InChIKeyARLFKPAUMPSOPE-UHFFFAOYSA-N
XLogP12.70
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.86
LogP ≤ 512.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(11,11-dimethylbenzo[b]fluoren-5-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-(11,11-dimethylbenzo[b]fluoren-5-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-(11,11-diphenylbenzo[b]fluoren-5-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-(11,11-diphenylbenzo[b]fluoren-5-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 163808088
2,4-dinaphthalen-2-yl-6-(5,11,11-triphenylbenzo[b]fluoren-2-yl)-1,3,5-triazine
CID 170411801
2-[7-(9,9-diphenylfluoren-4-yl)naphthalen-2-yl]-4-naphthalen-2-yl-6-phenanthren-2-yl-1,3,5-triazine
CID 162196091
2-(7,7-diphenylbenzo[c]fluoren-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 155465814
2-naphthalen-2-yl-4-phenanthren-9-yl-6-[4-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine
CID 165003642
2-(9,9-diphenylfluoren-3-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 149082665
2-(11,11-diphenylbenzo[b]fluoren-5-yl)-4,6-diphenylpyrimidine;2-(11,11-diphenylbenzo[b]fluoren-5-yl)-4-naphthalen-2-yl-6-phenylpyrimidine;2-(11,11-diphenylbenzo[b]fluoren-5-yl)-6-phenyl-4-(6-phenyl-3-pyridinyl)pyridine
CID 160756912
2-(7,7-diphenylbenzo[c]fluoren-2-yl)-4,6-dinaphthalen-1-yl-1,3,5-triazine;2-(7,7-diphenylbenzo[c]fluoren-4-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(7,7-diphenylbenzo[c]fluoren-1-yl)-4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazine;2-(7,7-diphenylbenzo[c]fluoren-3-yl)-4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazine
CID 158307725
2-(11,11-diphenylbenzo[b]fluoren-8-yl)-4,6-dinaphthalen-1-yl-1,3,5-triazine
CID 155465716
2,4-dinaphthalen-2-yl-6-spiro[benzo[c]fluorene-7,9'-fluorene]-5-yl-1,3,5-triazine
CID 58233397
5-(10-naphthalen-2-ylanthracen-9-yl)-7,7-diphenylbenzo[c]fluorene
CID 166034549
2,4-diphenyl-6-[4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-[4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 158764717

Frequently Asked Questions

What is the IUPAC name of 2-(11,11-diphenylbenzo[b]fluoren-5-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine?
The IUPAC name of 2-(11,11-diphenylbenzo[b]fluoren-5-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine (CID 146261780) is 2-(11,11-diphenylbenzo[b]fluoren-5-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-(11,11-diphenylbenzo[b]fluoren-5-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine?
The canonical SMILES for 2-(11,11-diphenylbenzo[b]fluoren-5-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine is c1ccc(C2(c3ccccc3)c3ccccc3-c3c2cc2ccccc2c3-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)cc1.
What is the InChIKey of 2-(11,11-diphenylbenzo[b]fluoren-5-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine?
The InChIKey is ARLFKPAUMPSOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N3/c1-3-20-41(21-4-1)52(42-22-5-2-6-23-42)45-26-14-13-25-44(45)47-46(52)33-38-19-11-12-24-43(38)48(47)51-54-49(39-29-27-34-15-7-9-17-36(34)31-39)53-50(55-51)40-30-28-35-16-8-10-18-37(35)32-40/h1-33H.
What are the key properties of 2-(11,11-diphenylbenzo[b]fluoren-5-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine?
2-(11,11-diphenylbenzo[b]fluoren-5-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine has a molecular weight of 699.86 g/mol, XLogP of 12.70, 5 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-5-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine is sourced from PubChem (CID 146261780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).