2-(6b,10a-dihydrofluoranthen-3-yl)-4,6-bis(4-methylphenyl)-1,3,5-triazine

C33H25N3 — CID 70882537

IUPAC2-(6b,10a-dihydrofluoranthen-3-yl)-4,6-bis(4-methylphenyl)-1,3,5-triazine
SMILESCc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3ccc4c5c(cccc35)C3C=CC=CC43)n2)cc1
InChIInChI=1S/C33H25N3/c1-20-10-14-22(15-11-20)31-34-32(23-16-12-21(2)13-17-23)36-33(35-31)29-19-18-28-25-7-4-3-6-24(25)26-8-5-9-27(29)30(26)28/h3-19,24-25H,1-2H3
InChIKeyFDQKDGMHIFXGKJ-UHFFFAOYSA-N
MW463.58 g/mol
LogP7.95
Rot. Bonds3

About 2-(6b,10a-dihydrofluoranthen-3-yl)-4,6-bis(4-methylphenyl)-1,3,5-triazine

2-(6b,10a-dihydrofluoranthen-3-yl)-4,6-bis(4-methylphenyl)-1,3,5-triazine (PubChem CID 70882537) has the molecular formula C33H25N3 and a molecular weight of 463.58 g/mol. Its IUPAC name is 2-(6b,10a-dihydrofluoranthen-3-yl)-4,6-bis(4-methylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(6b,10a-dihydrofluoranthen-3-yl)-4,6-bis(4-methylphenyl)-1,3,5-triazine
PubChem CID70882537
Molecular FormulaC33H25N3
Molecular Weight463.58 g/mol
Exact Mass463.20
IUPAC Name2-(6b,10a-dihydrofluoranthen-3-yl)-4,6-bis(4-methylphenyl)-1,3,5-triazine
SMILESCc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3ccc4c5c(cccc35)C3C=CC=CC43)n2)cc1
InChIInChI=1S/C33H25N3/c1-20-10-14-22(15-11-20)31-34-32(23-16-12-21(2)13-17-23)36-33(35-31)29-19-18-28-25-7-4-3-6-24(25)26-8-5-9-27(29)30(26)28/h3-19,24-25H,1-2H3
InChIKeyFDQKDGMHIFXGKJ-UHFFFAOYSA-N
XLogP7.95
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.58
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-[4-[4-(4-naphthalen-1-ylnaphthalen-1-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-phenyl-4a,9a-dihydrocarbazole
CID 159103905
2-(6-dibenzofuran-1-ylcyclohexa-2,4-dien-1-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenanthren-2-yl-1,3,5-triazine
CID 170145553
2-[9-[4-(6b,10a-dihydrofluoranthen-3-yl)phenyl]-10-fluoranthen-3-ylanthracen-2-yl]quinoxaline
CID 58687544
2-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-4,6-bis(4-methylphenyl)-1,3,5-triazine
CID 59002233
2-[3-[8-(6b,10a-dihydrofluoranthen-3-yl)-2,3-dihydrodibenzothiophen-1-yl]phenyl]-4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazine
CID 148742636
2-(4b,8a-dihydrotriphenylen-2-yl)-4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 166565407
8b,12a-dihydrobenzo[e]pyrene
CID 168838340
2-dibenzofuran-3-yl-4-[4-[6-(6-methylcyclohexa-2,4-dien-1-yl)dibenzothiophen-4-yl]naphthalen-1-yl]-6-naphthalen-1-yl-1,3,5-triazine
CID 166816832
2-(9,9-diphenyl-4b,8a-dihydrofluoren-2-yl)-4-[4-(6-methylnaphthalen-1-yl)phenyl]-6-phenanthren-9-yl-1,3,5-triazine
CID 130180840
4b,8a-dihydrophenanthren-9-ylboronic acid;2-(3,5-dibromophenyl)-4,6-bis(4-methylphenyl)-1,3,5-triazine;2-[3,5-di(phenanthren-9-yl)phenyl]-4,6-bis(4-methylphenyl)-1,3,5-triazine
CID 158703036
2-dibenzofuran-4-yl-4-[4-(6-naphthalen-1-yldibenzofuran-1-yl)-4,4a-dihydronaphthalen-1-yl]-6-phenyl-1,3,5-triazine
CID 170132486
2-(4a,10a-dihydrophenanthren-9-yl)-4-(4-dibenzofuran-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 170009147

Frequently Asked Questions

What is the IUPAC name of 2-(6b,10a-dihydrofluoranthen-3-yl)-4,6-bis(4-methylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(6b,10a-dihydrofluoranthen-3-yl)-4,6-bis(4-methylphenyl)-1,3,5-triazine (CID 70882537) is 2-(6b,10a-dihydrofluoranthen-3-yl)-4,6-bis(4-methylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(6b,10a-dihydrofluoranthen-3-yl)-4,6-bis(4-methylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(6b,10a-dihydrofluoranthen-3-yl)-4,6-bis(4-methylphenyl)-1,3,5-triazine is Cc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3ccc4c5c(cccc35)C3C=CC=CC43)n2)cc1.
What is the InChIKey of 2-(6b,10a-dihydrofluoranthen-3-yl)-4,6-bis(4-methylphenyl)-1,3,5-triazine?
The InChIKey is FDQKDGMHIFXGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25N3/c1-20-10-14-22(15-11-20)31-34-32(23-16-12-21(2)13-17-23)36-33(35-31)29-19-18-28-25-7-4-3-6-24(25)26-8-5-9-27(29)30(26)28/h3-19,24-25H,1-2H3.
What are the key properties of 2-(6b,10a-dihydrofluoranthen-3-yl)-4,6-bis(4-methylphenyl)-1,3,5-triazine?
2-(6b,10a-dihydrofluoranthen-3-yl)-4,6-bis(4-methylphenyl)-1,3,5-triazine has a molecular weight of 463.58 g/mol, XLogP of 7.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6b,10a-dihydrofluoranthen-3-yl)-4,6-bis(4-methylphenyl)-1,3,5-triazine is sourced from PubChem (CID 70882537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).