2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine

C51H35N3 — CID 153302549

IUPAC2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3cc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)ccc32)c2ccccc21
InChIInChI=1S/C51H35N3/c1-50(2)43-19-9-11-21-45(43)51(46-22-12-10-20-44(46)50)41-18-8-7-17-39(41)40-31-38(27-28-42(40)51)49-53-47(36-25-23-32-13-3-5-15-34(32)29-36)52-48(54-49)37-26-24-33-14-4-6-16-35(33)30-37/h3-31H,1-2H3
InChIKeyAHXAXSVHGHTMCG-UHFFFAOYSA-N
MW689.86 g/mol
LogP12.18
Rot. Bonds3

About 2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine

2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine (PubChem CID 153302549) has the molecular formula C51H35N3 and a molecular weight of 689.86 g/mol. Its IUPAC name is 2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
PubChem CID153302549
Molecular FormulaC51H35N3
Molecular Weight689.86 g/mol
Exact Mass689.28
IUPAC Name2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3cc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)ccc32)c2ccccc21
InChIInChI=1S/C51H35N3/c1-50(2)43-19-9-11-21-45(43)51(46-22-12-10-20-44(46)50)41-18-8-7-17-39(41)40-31-38(27-28-42(40)51)49-53-47(36-25-23-32-13-3-5-15-34(32)29-36)52-48(54-49)37-26-24-33-14-4-6-16-35(33)30-37/h3-31H,1-2H3
InChIKeyAHXAXSVHGHTMCG-UHFFFAOYSA-N
XLogP12.18
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.86
LogP ≤ 512.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 171592076
2,4-dinaphthalen-2-yl-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine
CID 167359528
2-[4-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 153302542
2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 146494836
2-(9,9-diphenylfluoren-3-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 149082665
2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 142504402
2-[3-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 166995942
2-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 118427115
2-(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-6-(7-naphthalen-2-ylnaphthalen-2-yl)-1,3,5-triazine
CID 176588450
2-(9,9'-spirobi[fluorene]-2-yl)-4,6-bis(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine
CID 58273816
2,4-diphenyl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-yl-1,3,5-triazine
CID 130261102
2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 146495829

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine?
The IUPAC name of 2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine (CID 153302549) is 2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine?
The canonical SMILES for 2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine is CC1(C)c2ccccc2C2(c3ccccc3-c3cc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)ccc32)c2ccccc21.
What is the InChIKey of 2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine?
The InChIKey is AHXAXSVHGHTMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35N3/c1-50(2)43-19-9-11-21-45(43)51(46-22-12-10-20-44(46)50)41-18-8-7-17-39(41)40-31-38(27-28-42(40)51)49-53-47(36-25-23-32-13-3-5-15-34(32)29-36)52-48(54-49)37-26-24-33-14-4-6-16-35(33)30-37/h3-31H,1-2H3.
What are the key properties of 2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine?
2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine has a molecular weight of 689.86 g/mol, XLogP of 12.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine is sourced from PubChem (CID 153302549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).