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

C58H37N3 — CID 170411801

IUPAC2,4-dinaphthalen-2-yl-6-(5,11,11-triphenylbenzo[b]fluoren-2-yl)-1,3,5-triazine
SMILESc1ccc(-c2c3c(cc4ccccc24)C(c2ccccc2)(c2ccccc2)c2cc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)ccc2-3)cc1
InChIInChI=1S/C58H37N3/c1-4-18-40(19-5-1)53-49-27-15-14-22-43(49)36-52-54(53)50-33-32-46(37-51(50)58(52,47-23-6-2-7-24-47)48-25-8-3-9-26-48)57-60-55(44-30-28-38-16-10-12-20-41(38)34-44)59-56(61-57)45-31-29-39-17-11-13-21-42(39)35-45/h1-37H
InChIKeyHIWIVMHACZQYLA-UHFFFAOYSA-N
MW775.96 g/mol
LogP14.36
Rot. Bonds6

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

2,4-dinaphthalen-2-yl-6-(5,11,11-triphenylbenzo[b]fluoren-2-yl)-1,3,5-triazine (PubChem CID 170411801) has the molecular formula C58H37N3 and a molecular weight of 775.96 g/mol. Its IUPAC name is 2,4-dinaphthalen-2-yl-6-(5,11,11-triphenylbenzo[b]fluoren-2-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dinaphthalen-2-yl-6-(5,11,11-triphenylbenzo[b]fluoren-2-yl)-1,3,5-triazine
PubChem CID170411801
Molecular FormulaC58H37N3
Molecular Weight775.96 g/mol
Exact Mass775.30
IUPAC Name2,4-dinaphthalen-2-yl-6-(5,11,11-triphenylbenzo[b]fluoren-2-yl)-1,3,5-triazine
SMILESc1ccc(-c2c3c(cc4ccccc24)C(c2ccccc2)(c2ccccc2)c2cc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)ccc2-3)cc1
InChIInChI=1S/C58H37N3/c1-4-18-40(19-5-1)53-49-27-15-14-22-43(49)36-52-54(53)50-33-32-46(37-51(50)58(52,47-23-6-2-7-24-47)48-25-8-3-9-26-48)57-60-55(44-30-28-38-16-10-12-20-41(38)34-44)59-56(61-57)45-31-29-39-17-11-13-21-42(39)35-45/h1-37H
InChIKeyHIWIVMHACZQYLA-UHFFFAOYSA-N
XLogP14.36
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500775.96
LogP ≤ 514.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(11,11-diphenylbenzo[b]fluoren-5-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 146261780
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
5-naphthalen-2-yl-9-phenanthren-9-yl-7,7-diphenylbenzo[c]fluorene
CID 59755304
2-(7,7-diphenylbenzo[c]fluoren-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 155465814
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-[3-(9,9-diphenylfluoren-2-yl)-5-naphthalen-1-ylphenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 171592300
2-(9,9-diphenylfluoren-2-yl)-4-(2-naphthalen-1-ylphenyl)-6-[3-(4-naphthalen-2-ylphenyl)phenyl]-1,3,5-triazine
CID 171439388
4-(4-naphthalen-2-ylphenyl)-2-[7-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]-9,9-diphenylfluoren-2-yl]quinazoline
CID 144856654
4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-diphenylbenzo[b]fluoren-2-yl]aniline
CID 163420554
2-[4-(7,7-diphenylbenzo[c]fluoren-3-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 155465894
4-[6-(9,9-diphenylfluoren-2-yl)naphthalen-2-yl]-2-phenyl-6-(2-phenylnaphthalen-1-yl)pyrimidine
CID 176632236
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

Frequently Asked Questions

What is the IUPAC name of 2,4-dinaphthalen-2-yl-6-(5,11,11-triphenylbenzo[b]fluoren-2-yl)-1,3,5-triazine?
The IUPAC name of 2,4-dinaphthalen-2-yl-6-(5,11,11-triphenylbenzo[b]fluoren-2-yl)-1,3,5-triazine (CID 170411801) is 2,4-dinaphthalen-2-yl-6-(5,11,11-triphenylbenzo[b]fluoren-2-yl)-1,3,5-triazine.
What is the SMILES notation for 2,4-dinaphthalen-2-yl-6-(5,11,11-triphenylbenzo[b]fluoren-2-yl)-1,3,5-triazine?
The canonical SMILES for 2,4-dinaphthalen-2-yl-6-(5,11,11-triphenylbenzo[b]fluoren-2-yl)-1,3,5-triazine is c1ccc(-c2c3c(cc4ccccc24)C(c2ccccc2)(c2ccccc2)c2cc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)ccc2-3)cc1.
What is the InChIKey of 2,4-dinaphthalen-2-yl-6-(5,11,11-triphenylbenzo[b]fluoren-2-yl)-1,3,5-triazine?
The InChIKey is HIWIVMHACZQYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37N3/c1-4-18-40(19-5-1)53-49-27-15-14-22-43(49)36-52-54(53)50-33-32-46(37-51(50)58(52,47-23-6-2-7-24-47)48-25-8-3-9-26-48)57-60-55(44-30-28-38-16-10-12-20-41(38)34-44)59-56(61-57)45-31-29-39-17-11-13-21-42(39)35-45/h1-37H.
What are the key properties of 2,4-dinaphthalen-2-yl-6-(5,11,11-triphenylbenzo[b]fluoren-2-yl)-1,3,5-triazine?
2,4-dinaphthalen-2-yl-6-(5,11,11-triphenylbenzo[b]fluoren-2-yl)-1,3,5-triazine has a molecular weight of 775.96 g/mol, XLogP of 14.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dinaphthalen-2-yl-6-(5,11,11-triphenylbenzo[b]fluoren-2-yl)-1,3,5-triazine is sourced from PubChem (CID 170411801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).