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

C61H43N3 — CID 146495829

IUPAC2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3ccccc32)c2ccc(-c3ccc(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccc(-c6ccccc6)cc5)n4)cc3)cc21
InChIInChI=1S/C61H43N3/c1-60(2)53-23-13-14-24-54(53)61(51-21-11-9-19-49(51)50-20-10-12-22-52(50)61)55-38-37-48(39-56(55)60)44-29-35-47(36-30-44)59-63-57(45-31-25-42(26-32-45)40-15-5-3-6-16-40)62-58(64-59)46-33-27-43(28-34-46)41-17-7-4-8-18-41/h3-39H,1-2H3
InChIKeyQBVLOPTUSXLROQ-UHFFFAOYSA-N
MW818.04 g/mol
LogP14.88
Rot. Bonds6

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

2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine (PubChem CID 146495829) has the molecular formula C61H43N3 and a molecular weight of 818.04 g/mol. Its IUPAC name is 2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
PubChem CID146495829
Molecular FormulaC61H43N3
Molecular Weight818.04 g/mol
Exact Mass817.35
IUPAC Name2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3ccccc32)c2ccc(-c3ccc(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccc(-c6ccccc6)cc5)n4)cc3)cc21
InChIInChI=1S/C61H43N3/c1-60(2)53-23-13-14-24-54(53)61(51-21-11-9-19-49(51)50-20-10-12-22-52(50)61)55-38-37-48(39-56(55)60)44-29-35-47(36-30-44)59-63-57(45-31-25-42(26-32-45)40-15-5-3-6-16-40)62-58(64-59)46-33-27-43(28-34-46)41-17-7-4-8-18-41/h3-39H,1-2H3
InChIKeyQBVLOPTUSXLROQ-UHFFFAOYSA-N
XLogP14.88
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500818.04
LogP ≤ 514.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 146494836
2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 142504402
2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 153302504
CID 139521138
CID 139521138
2-[3-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 166995942
2-[2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 166996046
CID 158278496
CID 158278496
CID 139521142
CID 139521142
2-phenyl-4-(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 129150894
2,4-diphenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 118426846
2-[4-(9,9-dimethylspiro[anthracene-10,9'-thioxanthene]-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 146494909
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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine (CID 146495829) is 2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine is CC1(C)c2ccccc2C2(c3ccccc3-c3ccccc32)c2ccc(-c3ccc(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccc(-c6ccccc6)cc5)n4)cc3)cc21.
What is the InChIKey of 2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is QBVLOPTUSXLROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H43N3/c1-60(2)53-23-13-14-24-54(53)61(51-21-11-9-19-49(51)50-20-10-12-22-52(50)61)55-38-37-48(39-56(55)60)44-29-35-47(36-30-44)59-63-57(45-31-25-42(26-32-45)40-15-5-3-6-16-40)62-58(64-59)46-33-27-43(28-34-46)41-17-7-4-8-18-41/h3-39H,1-2H3.
What are the key properties of 2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 818.04 g/mol, XLogP of 14.88, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 146495829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).