2-(9,9-dimethylfluoren-3-yl)-4-[2-(7-ethyl-3-methylspiro[bicyclo[3.3.1]nonane-2,8'-indeno[1,2-a]oxanthrene]-3'-yl)phenyl]-6-phenyl-1,3,5-triazine

C60H51N3O2 — CID 170005209

IUPAC2-(9,9-dimethylfluoren-3-yl)-4-[2-(7-ethyl-3-methylspiro[bicyclo[3.3.1]nonane-2,8'-indeno[1,2-a]oxanthrene]-3'-yl)phenyl]-6-phenyl-1,3,5-triazine
SMILESCCC1CC2CC(C)C3(c4ccccc4-c4c3ccc3c4Oc4ccc(-c5ccccc5-c5nc(-c6ccccc6)nc(-c6ccc7c(c6)-c6ccccc6C7(C)C)n5)cc4O3)C(C1)C2
InChIInChI=1S/C60H51N3O2/c1-5-36-30-37-29-35(2)60(41(31-36)32-37)49-22-14-12-20-45(49)54-50(60)26-28-52-55(54)65-51-27-24-39(34-53(51)64-52)42-17-9-10-19-44(42)58-62-56(38-15-7-6-8-16-38)61-57(63-58)40-23-25-48-46(33-40)43-18-11-13-21-47(43)59(48,3)4/h6-28,33-37,41H,5,29-32H2,1-4H3
InChIKeyATHKJRIZOFSEBQ-UHFFFAOYSA-N
MW846.09 g/mol
LogP15.49
Rot. Bonds5

About 2-(9,9-dimethylfluoren-3-yl)-4-[2-(7-ethyl-3-methylspiro[bicyclo[3.3.1]nonane-2,8'-indeno[1,2-a]oxanthrene]-3'-yl)phenyl]-6-phenyl-1,3,5-triazine

2-(9,9-dimethylfluoren-3-yl)-4-[2-(7-ethyl-3-methylspiro[bicyclo[3.3.1]nonane-2,8'-indeno[1,2-a]oxanthrene]-3'-yl)phenyl]-6-phenyl-1,3,5-triazine (PubChem CID 170005209) has the molecular formula C60H51N3O2 and a molecular weight of 846.09 g/mol. Its IUPAC name is 2-(9,9-dimethylfluoren-3-yl)-4-[2-(7-ethyl-3-methylspiro[bicyclo[3.3.1]nonane-2,8'-indeno[1,2-a]oxanthrene]-3'-yl)phenyl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(9,9-dimethylfluoren-3-yl)-4-[2-(7-ethyl-3-methylspiro[bicyclo[3.3.1]nonane-2,8'-indeno[1,2-a]oxanthrene]-3'-yl)phenyl]-6-phenyl-1,3,5-triazine
PubChem CID170005209
Molecular FormulaC60H51N3O2
Molecular Weight846.09 g/mol
Exact Mass845.40
IUPAC Name2-(9,9-dimethylfluoren-3-yl)-4-[2-(7-ethyl-3-methylspiro[bicyclo[3.3.1]nonane-2,8'-indeno[1,2-a]oxanthrene]-3'-yl)phenyl]-6-phenyl-1,3,5-triazine
SMILESCCC1CC2CC(C)C3(c4ccccc4-c4c3ccc3c4Oc4ccc(-c5ccccc5-c5nc(-c6ccccc6)nc(-c6ccc7c(c6)-c6ccccc6C7(C)C)n5)cc4O3)C(C1)C2
InChIInChI=1S/C60H51N3O2/c1-5-36-30-37-29-35(2)60(41(31-36)32-37)49-22-14-12-20-45(49)54-50(60)26-28-52-55(54)65-51-27-24-39(34-53(51)64-52)42-17-9-10-19-44(42)58-62-56(38-15-7-6-8-16-38)61-57(63-58)40-23-25-48-46(33-40)43-18-11-13-21-47(43)59(48,3)4/h6-28,33-37,41H,5,29-32H2,1-4H3
InChIKeyATHKJRIZOFSEBQ-UHFFFAOYSA-N
XLogP15.49
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500846.09
LogP ≤ 515.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(9,9-dimethylfluoren-3-yl)-4-[2-(7-ethyl-3-methylspiro[bicyclo[3.3.1]nonane-2,8'-indeno[1,2-a]oxanthrene]-3'-yl)phenyl]-6-phenyl-1,3,5-triazine with MolForge

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Related Compounds

2-[2-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 138575335
2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 138575901
2-(6'-dibenzofuran-1-yl-7-ethyl-3-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-2'-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 170047048
6'-chloro-2'-(9,9-dimethylfluoren-3-yl)-7-ethyl-3-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]
CID 170046374
2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 138575887
2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 138575760
2-dibenzofuran-3-yl-4-[2-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 138575353
2-(9,9-dimethylfluoren-2-yl)-4-[3-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 138575751
2-[2-(10,10-dimethyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-17-yl)phenyl]-4-ethyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 138574455
2-[2-(3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-3'-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 167162779
2-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)-4-phenyl-6-pyridin-2-yl-1,3,5-triazine
CID 138574917
9-[4-[4-[2-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 138575205

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethylfluoren-3-yl)-4-[2-(7-ethyl-3-methylspiro[bicyclo[3.3.1]nonane-2,8'-indeno[1,2-a]oxanthrene]-3'-yl)phenyl]-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(9,9-dimethylfluoren-3-yl)-4-[2-(7-ethyl-3-methylspiro[bicyclo[3.3.1]nonane-2,8'-indeno[1,2-a]oxanthrene]-3'-yl)phenyl]-6-phenyl-1,3,5-triazine (CID 170005209) is 2-(9,9-dimethylfluoren-3-yl)-4-[2-(7-ethyl-3-methylspiro[bicyclo[3.3.1]nonane-2,8'-indeno[1,2-a]oxanthrene]-3'-yl)phenyl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(9,9-dimethylfluoren-3-yl)-4-[2-(7-ethyl-3-methylspiro[bicyclo[3.3.1]nonane-2,8'-indeno[1,2-a]oxanthrene]-3'-yl)phenyl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(9,9-dimethylfluoren-3-yl)-4-[2-(7-ethyl-3-methylspiro[bicyclo[3.3.1]nonane-2,8'-indeno[1,2-a]oxanthrene]-3'-yl)phenyl]-6-phenyl-1,3,5-triazine is CCC1CC2CC(C)C3(c4ccccc4-c4c3ccc3c4Oc4ccc(-c5ccccc5-c5nc(-c6ccccc6)nc(-c6ccc7c(c6)-c6ccccc6C7(C)C)n5)cc4O3)C(C1)C2.
What is the InChIKey of 2-(9,9-dimethylfluoren-3-yl)-4-[2-(7-ethyl-3-methylspiro[bicyclo[3.3.1]nonane-2,8'-indeno[1,2-a]oxanthrene]-3'-yl)phenyl]-6-phenyl-1,3,5-triazine?
The InChIKey is ATHKJRIZOFSEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H51N3O2/c1-5-36-30-37-29-35(2)60(41(31-36)32-37)49-22-14-12-20-45(49)54-50(60)26-28-52-55(54)65-51-27-24-39(34-53(51)64-52)42-17-9-10-19-44(42)58-62-56(38-15-7-6-8-16-38)61-57(63-58)40-23-25-48-46(33-40)43-18-11-13-21-47(43)59(48,3)4/h6-28,33-37,41H,5,29-32H2,1-4H3.
What are the key properties of 2-(9,9-dimethylfluoren-3-yl)-4-[2-(7-ethyl-3-methylspiro[bicyclo[3.3.1]nonane-2,8'-indeno[1,2-a]oxanthrene]-3'-yl)phenyl]-6-phenyl-1,3,5-triazine?
2-(9,9-dimethylfluoren-3-yl)-4-[2-(7-ethyl-3-methylspiro[bicyclo[3.3.1]nonane-2,8'-indeno[1,2-a]oxanthrene]-3'-yl)phenyl]-6-phenyl-1,3,5-triazine has a molecular weight of 846.09 g/mol, XLogP of 15.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-dimethylfluoren-3-yl)-4-[2-(7-ethyl-3-methylspiro[bicyclo[3.3.1]nonane-2,8'-indeno[1,2-a]oxanthrene]-3'-yl)phenyl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 170005209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).