2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-spiro[benzo[a]fluorene-11,9'-fluorene]-3-yl-1,3,5-triazine

C53H35N3 — CID 155465480

IUPAC2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-spiro[benzo[a]fluorene-11,9'-fluorene]-3-yl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c6c(ccc5c4)-c4ccccc4C64c5ccccc5-c5ccccc54)n3)cc21
InChIInChI=1S/C53H35N3/c1-52(2)43-20-10-6-16-37(43)41-28-26-35(31-47(41)52)51-55-49(32-14-4-3-5-15-32)54-50(56-51)34-25-27-36-33(30-34)24-29-42-40-19-9-13-23-46(40)53(48(36)42)44-21-11-7-17-38(44)39-18-8-12-22-45(39)53/h3-31H,1-2H3
InChIKeyHJRUBGNZNIZBTR-UHFFFAOYSA-N
MW713.88 g/mol
LogP12.68
Rot. Bonds3

About 2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-spiro[benzo[a]fluorene-11,9'-fluorene]-3-yl-1,3,5-triazine

2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-spiro[benzo[a]fluorene-11,9'-fluorene]-3-yl-1,3,5-triazine (PubChem CID 155465480) has the molecular formula C53H35N3 and a molecular weight of 713.88 g/mol. Its IUPAC name is 2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-spiro[benzo[a]fluorene-11,9'-fluorene]-3-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-spiro[benzo[a]fluorene-11,9'-fluorene]-3-yl-1,3,5-triazine
PubChem CID155465480
Molecular FormulaC53H35N3
Molecular Weight713.88 g/mol
Exact Mass713.28
IUPAC Name2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-spiro[benzo[a]fluorene-11,9'-fluorene]-3-yl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c6c(ccc5c4)-c4ccccc4C64c5ccccc5-c5ccccc54)n3)cc21
InChIInChI=1S/C53H35N3/c1-52(2)43-20-10-6-16-37(43)41-28-26-35(31-47(41)52)51-55-49(32-14-4-3-5-15-32)54-50(56-51)34-25-27-36-33(30-34)24-29-42-40-19-9-13-23-46(40)53(48(36)42)44-21-11-7-17-38(44)39-18-8-12-22-45(39)53/h3-31H,1-2H3
InChIKeyHJRUBGNZNIZBTR-UHFFFAOYSA-N
XLogP12.68
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.88
LogP ≤ 512.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-bis[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 118530501
2,4-bis(9,9-dimethylfluoren-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 59188587
2-(9,9-dimethylfluoren-2-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 58233424
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 162196088
2,4-diphenyl-6-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-ylphenyl)-1,3,5-triazine
CID 137494788
3-(7-bromo-9,9-dimethylfluoren-2-yl)spiro[benzo[a]fluorene-11,9'-fluorene]
CID 145144872
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-(9-phenylnaphtho[1,2-b][1]benzothiol-3-yl)-1,3,5-triazine
CID 155473877
2-(9,9-dimethylfluoren-2-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 162504612
2,4-bis(4-phenylphenyl)-6-spiro[benzo[a]fluorene-11,9'-fluorene]-3-yl-1,3,5-triazine;2-(11,11-dimethylbenzo[a]fluoren-4-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(11,11-dimethylbenzo[a]fluoren-1-yl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine;methane
CID 158325771
4-(9,9-dimethylfluoren-2-yl)-6-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-1'-yl)phenyl]-2-phenylpyrimidine
CID 146495353
2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 153302504
2-[4-(11,11-dimethylbenzo[a]fluoren-3-yl)naphthalen-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 155465824

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-spiro[benzo[a]fluorene-11,9'-fluorene]-3-yl-1,3,5-triazine?
The IUPAC name of 2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-spiro[benzo[a]fluorene-11,9'-fluorene]-3-yl-1,3,5-triazine (CID 155465480) is 2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-spiro[benzo[a]fluorene-11,9'-fluorene]-3-yl-1,3,5-triazine.
What is the SMILES notation for 2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-spiro[benzo[a]fluorene-11,9'-fluorene]-3-yl-1,3,5-triazine?
The canonical SMILES for 2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-spiro[benzo[a]fluorene-11,9'-fluorene]-3-yl-1,3,5-triazine is CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c6c(ccc5c4)-c4ccccc4C64c5ccccc5-c5ccccc54)n3)cc21.
What is the InChIKey of 2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-spiro[benzo[a]fluorene-11,9'-fluorene]-3-yl-1,3,5-triazine?
The InChIKey is HJRUBGNZNIZBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35N3/c1-52(2)43-20-10-6-16-37(43)41-28-26-35(31-47(41)52)51-55-49(32-14-4-3-5-15-32)54-50(56-51)34-25-27-36-33(30-34)24-29-42-40-19-9-13-23-46(40)53(48(36)42)44-21-11-7-17-38(44)39-18-8-12-22-45(39)53/h3-31H,1-2H3.
What are the key properties of 2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-spiro[benzo[a]fluorene-11,9'-fluorene]-3-yl-1,3,5-triazine?
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-spiro[benzo[a]fluorene-11,9'-fluorene]-3-yl-1,3,5-triazine has a molecular weight of 713.88 g/mol, XLogP of 12.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-spiro[benzo[a]fluorene-11,9'-fluorene]-3-yl-1,3,5-triazine is sourced from PubChem (CID 155465480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).