2-(11,11-diphenylbenzo[b]fluoren-8-yl)-4,6-dinaphthalen-1-yl-1,3,5-triazine

C52H33N3 — CID 155465716

IUPAC2-(11,11-diphenylbenzo[b]fluoren-8-yl)-4,6-dinaphthalen-1-yl-1,3,5-triazine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3cc4ccc(-c5nc(-c6cccc7ccccc67)nc(-c6cccc7ccccc67)n5)cc4cc32)cc1
InChIInChI=1S/C52H33N3/c1-3-19-39(20-4-1)52(40-21-5-2-6-22-40)47-28-12-11-25-43(47)46-32-36-29-30-37(31-38(36)33-48(46)52)49-53-50(44-26-13-17-34-15-7-9-23-41(34)44)55-51(54-49)45-27-14-18-35-16-8-10-24-42(35)45/h1-33H
InChIKeyNVXRNUOXSRRTHU-UHFFFAOYSA-N
MW699.86 g/mol
LogP12.70
Rot. Bonds5

About 2-(11,11-diphenylbenzo[b]fluoren-8-yl)-4,6-dinaphthalen-1-yl-1,3,5-triazine

2-(11,11-diphenylbenzo[b]fluoren-8-yl)-4,6-dinaphthalen-1-yl-1,3,5-triazine (PubChem CID 155465716) has the molecular formula C52H33N3 and a molecular weight of 699.86 g/mol. Its IUPAC name is 2-(11,11-diphenylbenzo[b]fluoren-8-yl)-4,6-dinaphthalen-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-(11,11-diphenylbenzo[b]fluoren-8-yl)-4,6-dinaphthalen-1-yl-1,3,5-triazine
PubChem CID155465716
Molecular FormulaC52H33N3
Molecular Weight699.86 g/mol
Exact Mass699.27
IUPAC Name2-(11,11-diphenylbenzo[b]fluoren-8-yl)-4,6-dinaphthalen-1-yl-1,3,5-triazine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3cc4ccc(-c5nc(-c6cccc7ccccc67)nc(-c6cccc7ccccc67)n5)cc4cc32)cc1
InChIInChI=1S/C52H33N3/c1-3-19-39(20-4-1)52(40-21-5-2-6-22-40)47-28-12-11-25-43(47)46-32-36-29-30-37(31-38(36)33-48(46)52)49-53-50(44-26-13-17-34-15-7-9-23-41(34)44)55-51(54-49)45-27-14-18-35-16-8-10-24-42(35)45/h1-33H
InChIKeyNVXRNUOXSRRTHU-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-diphenylbenzo[b]fluoren-3-yl)-4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 164829465
2-(9,9-diphenylfluoren-2-yl)-4-(2-naphthalen-1-ylphenyl)-6-[3-(4-naphthalen-2-ylphenyl)phenyl]-1,3,5-triazine
CID 171439388
3-(11,11-diphenylbenzo[b]fluoren-7-yl)-1-phenylbenzo[f]quinazoline
CID 155465505
2-(9,9-diphenylfluoren-2-yl)-4-phenanthren-1-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 122416383
2-(9,9-diphenylfluoren-3-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 149082665
2-naphthalen-2-yl-4-phenanthren-9-yl-6-[4-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine
CID 165003642
2-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-naphthalen-1-yl-6-phenanthren-9-yl-1,3,5-triazine
CID 122416420
2,4-dinaphthalen-1-yl-6-[6-(9,9'-spirobi[fluorene]-1'-yl)naphthalen-2-yl]-1,3,5-triazine
CID 146648292
2-[3-(9,9-diphenylfluoren-2-yl)-5-naphthalen-1-ylphenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 171592300
2-phenanthren-9-yl-4-(5-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-phenanthren-2-yl-4-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine;2-phenanthren-2-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164974676
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

Frequently Asked Questions

What is the IUPAC name of 2-(11,11-diphenylbenzo[b]fluoren-8-yl)-4,6-dinaphthalen-1-yl-1,3,5-triazine?
The IUPAC name of 2-(11,11-diphenylbenzo[b]fluoren-8-yl)-4,6-dinaphthalen-1-yl-1,3,5-triazine (CID 155465716) is 2-(11,11-diphenylbenzo[b]fluoren-8-yl)-4,6-dinaphthalen-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-(11,11-diphenylbenzo[b]fluoren-8-yl)-4,6-dinaphthalen-1-yl-1,3,5-triazine?
The canonical SMILES for 2-(11,11-diphenylbenzo[b]fluoren-8-yl)-4,6-dinaphthalen-1-yl-1,3,5-triazine is c1ccc(C2(c3ccccc3)c3ccccc3-c3cc4ccc(-c5nc(-c6cccc7ccccc67)nc(-c6cccc7ccccc67)n5)cc4cc32)cc1.
What is the InChIKey of 2-(11,11-diphenylbenzo[b]fluoren-8-yl)-4,6-dinaphthalen-1-yl-1,3,5-triazine?
The InChIKey is NVXRNUOXSRRTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N3/c1-3-19-39(20-4-1)52(40-21-5-2-6-22-40)47-28-12-11-25-43(47)46-32-36-29-30-37(31-38(36)33-48(46)52)49-53-50(44-26-13-17-34-15-7-9-23-41(34)44)55-51(54-49)45-27-14-18-35-16-8-10-24-42(35)45/h1-33H.
What are the key properties of 2-(11,11-diphenylbenzo[b]fluoren-8-yl)-4,6-dinaphthalen-1-yl-1,3,5-triazine?
2-(11,11-diphenylbenzo[b]fluoren-8-yl)-4,6-dinaphthalen-1-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-8-yl)-4,6-dinaphthalen-1-yl-1,3,5-triazine is sourced from PubChem (CID 155465716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).