2-(9,9-diphenyl-4b,8a-dihydrofluoren-2-yl)-4-[4-(6-methylnaphthalen-1-yl)phenyl]-6-phenanthren-9-yl-1,3,5-triazine

C59H41N3 — CID 130180840

IUPAC2-(9,9-diphenyl-4b,8a-dihydrofluoren-2-yl)-4-[4-(6-methylnaphthalen-1-yl)phenyl]-6-phenanthren-9-yl-1,3,5-triazine
SMILESCc1ccc2c(-c3ccc(-c4nc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)C5C=CC=CC65)nc(-c5cc6ccccc6c6ccccc56)n4)cc3)cccc2c1
InChIInChI=1S/C59H41N3/c1-38-27-33-48-41(35-38)16-14-25-46(48)39-28-30-40(31-29-39)56-60-57(62-58(61-56)53-36-42-15-8-9-21-47(42)49-22-10-11-23-50(49)53)43-32-34-52-51-24-12-13-26-54(51)59(55(52)37-43,44-17-4-2-5-18-44)45-19-6-3-7-20-45/h2-37,51,54H,1H3
InChIKeyCPEXZKBRZQQEKF-UHFFFAOYSA-N
MW792.00 g/mol
LogP14.48
Rot. Bonds6

About 2-(9,9-diphenyl-4b,8a-dihydrofluoren-2-yl)-4-[4-(6-methylnaphthalen-1-yl)phenyl]-6-phenanthren-9-yl-1,3,5-triazine

2-(9,9-diphenyl-4b,8a-dihydrofluoren-2-yl)-4-[4-(6-methylnaphthalen-1-yl)phenyl]-6-phenanthren-9-yl-1,3,5-triazine (PubChem CID 130180840) has the molecular formula C59H41N3 and a molecular weight of 792.00 g/mol. Its IUPAC name is 2-(9,9-diphenyl-4b,8a-dihydrofluoren-2-yl)-4-[4-(6-methylnaphthalen-1-yl)phenyl]-6-phenanthren-9-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-(9,9-diphenyl-4b,8a-dihydrofluoren-2-yl)-4-[4-(6-methylnaphthalen-1-yl)phenyl]-6-phenanthren-9-yl-1,3,5-triazine
PubChem CID130180840
Molecular FormulaC59H41N3
Molecular Weight792.00 g/mol
Exact Mass791.33
IUPAC Name2-(9,9-diphenyl-4b,8a-dihydrofluoren-2-yl)-4-[4-(6-methylnaphthalen-1-yl)phenyl]-6-phenanthren-9-yl-1,3,5-triazine
SMILESCc1ccc2c(-c3ccc(-c4nc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)C5C=CC=CC65)nc(-c5cc6ccccc6c6ccccc56)n4)cc3)cccc2c1
InChIInChI=1S/C59H41N3/c1-38-27-33-48-41(35-38)16-14-25-46(48)39-28-30-40(31-29-39)56-60-57(62-58(61-56)53-36-42-15-8-9-21-47(42)49-22-10-11-23-50(49)53)43-32-34-52-51-24-12-13-26-54(51)59(55(52)37-43,44-17-4-2-5-18-44)45-19-6-3-7-20-45/h2-37,51,54H,1H3
InChIKeyCPEXZKBRZQQEKF-UHFFFAOYSA-N
XLogP14.48
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.00
LogP ≤ 514.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2,4-dipyridin-2-yl-6-spiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2-yl-1,3,5-triazine
CID 123333479
2-phenanthren-9-yl-4-(5-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 164969936
2-phenanthren-2-yl-4-phenyl-6-(3-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine
CID 155442762
4-phenanthren-2-yl-6-phenyl-2-(4-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 155442773
2-(9,9-diphenyl-4b,8a-dihydrofluoren-2-yl)-4-(9,9-diphenylfluoren-2-yl)-6-(8,8-diphenyl-5-tricyclo[7.4.1.02,7]tetradeca-1(14),2(7),3,5,10,12-hexaenyl)-1,3,5-triazine
CID 126546621
2-phenanthren-9-yl-4-(5-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-phenanthren-2-yl-4-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine;2-phenanthren-2-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164974676
2,4-diphenyl-6-(7-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2'-yldibenzofuran-3-yl)-1,3,5-triazine
CID 166953099
2-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-naphthalen-1-yl-6-phenanthren-9-yl-1,3,5-triazine
CID 122416420
4-phenanthren-2-yl-6-phenyl-2-(3-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 155443455
5-[2,4-dimethyl-5-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-2,4-dimethylphenol;7-methyl-9,9-diphenyl-4a,9a-dihydrofluorene
CID 143802774
2-(4-naphthalen-1-ylphenyl)-4-[3-(4-naphthalen-2-ylphenyl)phenyl]-6-phenanthren-9-yl-1,3,5-triazine
CID 171439472
2-phenanthren-9-yl-4-[4-(9-phenylfluoren-9-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 164949544

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-diphenyl-4b,8a-dihydrofluoren-2-yl)-4-[4-(6-methylnaphthalen-1-yl)phenyl]-6-phenanthren-9-yl-1,3,5-triazine?
The IUPAC name of 2-(9,9-diphenyl-4b,8a-dihydrofluoren-2-yl)-4-[4-(6-methylnaphthalen-1-yl)phenyl]-6-phenanthren-9-yl-1,3,5-triazine (CID 130180840) is 2-(9,9-diphenyl-4b,8a-dihydrofluoren-2-yl)-4-[4-(6-methylnaphthalen-1-yl)phenyl]-6-phenanthren-9-yl-1,3,5-triazine.
What is the SMILES notation for 2-(9,9-diphenyl-4b,8a-dihydrofluoren-2-yl)-4-[4-(6-methylnaphthalen-1-yl)phenyl]-6-phenanthren-9-yl-1,3,5-triazine?
The canonical SMILES for 2-(9,9-diphenyl-4b,8a-dihydrofluoren-2-yl)-4-[4-(6-methylnaphthalen-1-yl)phenyl]-6-phenanthren-9-yl-1,3,5-triazine is Cc1ccc2c(-c3ccc(-c4nc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)C5C=CC=CC65)nc(-c5cc6ccccc6c6ccccc56)n4)cc3)cccc2c1.
What is the InChIKey of 2-(9,9-diphenyl-4b,8a-dihydrofluoren-2-yl)-4-[4-(6-methylnaphthalen-1-yl)phenyl]-6-phenanthren-9-yl-1,3,5-triazine?
The InChIKey is CPEXZKBRZQQEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H41N3/c1-38-27-33-48-41(35-38)16-14-25-46(48)39-28-30-40(31-29-39)56-60-57(62-58(61-56)53-36-42-15-8-9-21-47(42)49-22-10-11-23-50(49)53)43-32-34-52-51-24-12-13-26-54(51)59(55(52)37-43,44-17-4-2-5-18-44)45-19-6-3-7-20-45/h2-37,51,54H,1H3.
What are the key properties of 2-(9,9-diphenyl-4b,8a-dihydrofluoren-2-yl)-4-[4-(6-methylnaphthalen-1-yl)phenyl]-6-phenanthren-9-yl-1,3,5-triazine?
2-(9,9-diphenyl-4b,8a-dihydrofluoren-2-yl)-4-[4-(6-methylnaphthalen-1-yl)phenyl]-6-phenanthren-9-yl-1,3,5-triazine has a molecular weight of 792.00 g/mol, XLogP of 14.48, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-diphenyl-4b,8a-dihydrofluoren-2-yl)-4-[4-(6-methylnaphthalen-1-yl)phenyl]-6-phenanthren-9-yl-1,3,5-triazine is sourced from PubChem (CID 130180840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).