9-bromo-7,7-dimethylbenzo[c]fluorene;2-chloro-4-(7,7-dimethylbenzo[g]fluoren-9-yl)-6-naphthalen-2-yl-1,3,5-triazine;2,4-dichloro-6-naphthalen-2-yl-1,3,5-triazine

C64H44BrCl3N6 — CID 157149180

IUPAC9-bromo-7,7-dimethylbenzo[c]fluorene;2-chloro-4-(7,7-dimethylbenzo[g]fluoren-9-yl)-6-naphthalen-2-yl-1,3,5-triazine;2,4-dichloro-6-naphthalen-2-yl-1,3,5-triazine
SMILESCC1(C)c2cc(-c3nc(Cl)nc(-c4ccc5ccccc5c4)n3)ccc2-c2c1ccc1ccccc21.CC1(C)c2cc(Br)ccc2-c2c1ccc1ccccc21.Clc1nc(Cl)nc(-c2ccc3ccccc3c2)n1
InChIInChI=1S/C32H22ClN3.C19H15Br.C13H7Cl2N3/c1-32(2)26-16-14-20-8-5-6-10-24(20)28(26)25-15-13-23(18-27(25)32)30-34-29(35-31(33)36-30)22-12-11-19-7-3-4-9-21(19)17-22;1-19(2)16-10-7-12-5-3-4-6-14(12)18(16)15-9-8-13(20)11-17(15)19;14-12-16-11(17-13(15)18-12)10-6-5-8-3-1-2-4-9(8)7-10/h3-18H,1-2H3;3-11H,1-2H3;1-7H
InChIKeyALBCRTQAQVEWBX-UHFFFAOYSA-N
MW1083.36 g/mol
LogP18.38
Rot. Bonds3

About 9-bromo-7,7-dimethylbenzo[c]fluorene;2-chloro-4-(7,7-dimethylbenzo[g]fluoren-9-yl)-6-naphthalen-2-yl-1,3,5-triazine;2,4-dichloro-6-naphthalen-2-yl-1,3,5-triazine

9-bromo-7,7-dimethylbenzo[c]fluorene;2-chloro-4-(7,7-dimethylbenzo[g]fluoren-9-yl)-6-naphthalen-2-yl-1,3,5-triazine;2,4-dichloro-6-naphthalen-2-yl-1,3,5-triazine (PubChem CID 157149180) has the molecular formula C64H44BrCl3N6 and a molecular weight of 1083.36 g/mol. Its IUPAC name is 9-bromo-7,7-dimethylbenzo[c]fluorene;2-chloro-4-(7,7-dimethylbenzo[g]fluoren-9-yl)-6-naphthalen-2-yl-1,3,5-triazine;2,4-dichloro-6-naphthalen-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name9-bromo-7,7-dimethylbenzo[c]fluorene;2-chloro-4-(7,7-dimethylbenzo[g]fluoren-9-yl)-6-naphthalen-2-yl-1,3,5-triazine;2,4-dichloro-6-naphthalen-2-yl-1,3,5-triazine
PubChem CID157149180
Molecular FormulaC64H44BrCl3N6
Molecular Weight1083.36 g/mol
Exact Mass1080.19
IUPAC Name9-bromo-7,7-dimethylbenzo[c]fluorene;2-chloro-4-(7,7-dimethylbenzo[g]fluoren-9-yl)-6-naphthalen-2-yl-1,3,5-triazine;2,4-dichloro-6-naphthalen-2-yl-1,3,5-triazine
SMILESCC1(C)c2cc(-c3nc(Cl)nc(-c4ccc5ccccc5c4)n3)ccc2-c2c1ccc1ccccc21.CC1(C)c2cc(Br)ccc2-c2c1ccc1ccccc21.Clc1nc(Cl)nc(-c2ccc3ccccc3c2)n1
InChIInChI=1S/C32H22ClN3.C19H15Br.C13H7Cl2N3/c1-32(2)26-16-14-20-8-5-6-10-24(20)28(26)25-15-13-23(18-27(25)32)30-34-29(35-31(33)36-30)22-12-11-19-7-3-4-9-21(19)17-22;1-19(2)16-10-7-12-5-3-4-6-14(12)18(16)15-9-8-13(20)11-17(15)19;14-12-16-11(17-13(15)18-12)10-6-5-8-3-1-2-4-9(8)7-10/h3-18H,1-2H3;3-11H,1-2H3;1-7H
InChIKeyALBCRTQAQVEWBX-UHFFFAOYSA-N
XLogP18.38
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001083.36
LogP ≤ 518.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-bromo-7,7-dimethylbenzo[c]fluorene;2-chloro-4-(7,7-dimethylbenzo[g]fluoren-9-yl)-6-naphthalen-2-yl-1,3,5-triazine;2,4-dichloro-6-naphthalen-2-yl-1,3,5-triazine with MolForge

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Related Compounds

2,7-Bis(4,6-diphenyl-1,3,5-triazin-2-yl)9,9'-spirobi[fluorene]
CID 58827727
2-[9-Fluoro-9-methyl-7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)fluoren-2-yl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 145277074
2-Bromo-9,9-difluorofluorene;2-[4-(9,9-difluorofluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
CID 161209487
2-[2-[5'-(9,9-Dimethylfluoren-4-yl)spiro[adamantane-2,9'-fluorene]-3'-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-fluorophenyl]-4,6-diphenyl-1,3,5-triazine
CID 164818925
2-[2-[6'-[4-(4,6-Diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-1-yl]spiro[adamantane-2,9'-fluorene]-2'-yl]-4-fluorophenyl]-4,6-diphenyl-1,3,5-triazine
CID 164818931
2-[8-[7'-[2-(4,6-Diphenyl-1,3,5-triazin-2-yl)-5-fluorophenyl]spiro[adamantane-2,9'-fluorene]-2'-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 164818951
2-[2-[5'-(9,9-Dimethylfluoren-4-yl)spiro[adamantane-2,9'-fluorene]-3'-yl]-5-[4-(4-ethylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorophenyl]-4-phenyl-6-(4-propan-2-ylphenyl)-1,3,5-triazine
CID 164819055
2-[5-[7'-[2-(4,6-Diphenyl-1,3,5-triazin-2-yl)-5-fluorophenyl]spiro[adamantane-2,9'-fluorene]-2'-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 164819090
2-(9,9-Diethylfluoren-2-yl)-4-[4-(9,9-diethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-1,3,5-triazine
CID 101847586
2-Chloro-4,6-bis(9,9-diethylfluoren-2-yl)-1,3,5-triazine
CID 135078420
2-[7-(4,6-Diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 20652069
2-[7-(4,6-Diphenyl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 20652070

Frequently Asked Questions

What is the IUPAC name of 9-bromo-7,7-dimethylbenzo[c]fluorene;2-chloro-4-(7,7-dimethylbenzo[g]fluoren-9-yl)-6-naphthalen-2-yl-1,3,5-triazine;2,4-dichloro-6-naphthalen-2-yl-1,3,5-triazine?
The IUPAC name of 9-bromo-7,7-dimethylbenzo[c]fluorene;2-chloro-4-(7,7-dimethylbenzo[g]fluoren-9-yl)-6-naphthalen-2-yl-1,3,5-triazine;2,4-dichloro-6-naphthalen-2-yl-1,3,5-triazine (CID 157149180) is 9-bromo-7,7-dimethylbenzo[c]fluorene;2-chloro-4-(7,7-dimethylbenzo[g]fluoren-9-yl)-6-naphthalen-2-yl-1,3,5-triazine;2,4-dichloro-6-naphthalen-2-yl-1,3,5-triazine.
What is the SMILES notation for 9-bromo-7,7-dimethylbenzo[c]fluorene;2-chloro-4-(7,7-dimethylbenzo[g]fluoren-9-yl)-6-naphthalen-2-yl-1,3,5-triazine;2,4-dichloro-6-naphthalen-2-yl-1,3,5-triazine?
The canonical SMILES for 9-bromo-7,7-dimethylbenzo[c]fluorene;2-chloro-4-(7,7-dimethylbenzo[g]fluoren-9-yl)-6-naphthalen-2-yl-1,3,5-triazine;2,4-dichloro-6-naphthalen-2-yl-1,3,5-triazine is CC1(C)c2cc(-c3nc(Cl)nc(-c4ccc5ccccc5c4)n3)ccc2-c2c1ccc1ccccc21.CC1(C)c2cc(Br)ccc2-c2c1ccc1ccccc21.Clc1nc(Cl)nc(-c2ccc3ccccc3c2)n1.
What is the InChIKey of 9-bromo-7,7-dimethylbenzo[c]fluorene;2-chloro-4-(7,7-dimethylbenzo[g]fluoren-9-yl)-6-naphthalen-2-yl-1,3,5-triazine;2,4-dichloro-6-naphthalen-2-yl-1,3,5-triazine?
The InChIKey is ALBCRTQAQVEWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22ClN3.C19H15Br.C13H7Cl2N3/c1-32(2)26-16-14-20-8-5-6-10-24(20)28(26)25-15-13-23(18-27(25)32)30-34-29(35-31(33)36-30)22-12-11-19-7-3-4-9-21(19)17-22;1-19(2)16-10-7-12-5-3-4-6-14(12)18(16)15-9-8-13(20)11-17(15)19;14-12-16-11(17-13(15)18-12)10-6-5-8-3-1-2-4-9(8)7-10/h3-18H,1-2H3;3-11H,1-2H3;1-7H.
What are the key properties of 9-bromo-7,7-dimethylbenzo[c]fluorene;2-chloro-4-(7,7-dimethylbenzo[g]fluoren-9-yl)-6-naphthalen-2-yl-1,3,5-triazine;2,4-dichloro-6-naphthalen-2-yl-1,3,5-triazine?
9-bromo-7,7-dimethylbenzo[c]fluorene;2-chloro-4-(7,7-dimethylbenzo[g]fluoren-9-yl)-6-naphthalen-2-yl-1,3,5-triazine;2,4-dichloro-6-naphthalen-2-yl-1,3,5-triazine has a molecular weight of 1083.36 g/mol, XLogP of 18.38, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-7,7-dimethylbenzo[c]fluorene;2-chloro-4-(7,7-dimethylbenzo[g]fluoren-9-yl)-6-naphthalen-2-yl-1,3,5-triazine;2,4-dichloro-6-naphthalen-2-yl-1,3,5-triazine is sourced from PubChem (CID 157149180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).