6-[4-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]phenyl]spiro[8a,14a-dihydrochromeno[3,2-k]phenanthridine-9,9'-fluorene]

C59H40N4O — CID 146613062

IUPAC6-[4-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]phenyl]spiro[8a,14a-dihydrochromeno[3,2-k]phenanthridine-9,9'-fluorene]
SMILESC1=CC2C(Oc3ccccc3C23c2ccccc2-c2ccccc23)c2c1c(-c1ccc(-c3ccc(C4N=C(c5ccccc5)NC(c5ccccc5)=N4)cc3)cc1)nc1ccccc21
InChIInChI=1S/C59H40N4O/c1-3-15-40(16-4-1)56-61-57(41-17-5-2-6-18-41)63-58(62-56)42-33-29-38(30-34-42)37-27-31-39(32-28-37)54-46-35-36-50-55(53(46)45-21-9-13-25-51(45)60-54)64-52-26-14-12-24-49(52)59(50)47-22-10-7-19-43(47)44-20-8-11-23-48(44)59/h1-36,50,55,58H,(H,61,62,63)
InChIKeyBJUDFYYBVZOQOI-UHFFFAOYSA-N
MW821.00 g/mol
LogP13.16
Rot. Bonds5

About 6-[4-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]phenyl]spiro[8a,14a-dihydrochromeno[3,2-k]phenanthridine-9,9'-fluorene]

6-[4-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]phenyl]spiro[8a,14a-dihydrochromeno[3,2-k]phenanthridine-9,9'-fluorene] (PubChem CID 146613062) has the molecular formula C59H40N4O and a molecular weight of 821.00 g/mol. Its IUPAC name is 6-[4-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]phenyl]spiro[8a,14a-dihydrochromeno[3,2-k]phenanthridine-9,9'-fluorene].

Molecular Properties

Compound Name6-[4-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]phenyl]spiro[8a,14a-dihydrochromeno[3,2-k]phenanthridine-9,9'-fluorene]
PubChem CID146613062
Molecular FormulaC59H40N4O
Molecular Weight821.00 g/mol
Exact Mass820.32
IUPAC Name6-[4-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]phenyl]spiro[8a,14a-dihydrochromeno[3,2-k]phenanthridine-9,9'-fluorene]
SMILESC1=CC2C(Oc3ccccc3C23c2ccccc2-c2ccccc23)c2c1c(-c1ccc(-c3ccc(C4N=C(c5ccccc5)NC(c5ccccc5)=N4)cc3)cc1)nc1ccccc21
InChIInChI=1S/C59H40N4O/c1-3-15-40(16-4-1)56-61-57(41-17-5-2-6-18-41)63-58(62-56)42-33-29-38(30-34-42)37-27-31-39(32-28-37)54-46-35-36-50-55(53(46)45-21-9-13-25-51(45)60-54)64-52-26-14-12-24-49(52)59(50)47-22-10-7-19-43(47)44-20-8-11-23-48(44)59/h1-36,50,55,58H,(H,61,62,63)
InChIKeyBJUDFYYBVZOQOI-UHFFFAOYSA-N
XLogP13.16
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500821.00
LogP ≤ 513.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[4-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]phenyl]spiro[8a,14a-dihydrochromeno[3,2-k]phenanthridine-9,9'-fluorene] with MolForge

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Related Compounds

6-[4-[3-(2-cyclohexa-2,4-dien-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]cyclohexa-2,4-dien-1-yl]spiro[8a,14a-dihydrochromeno[3,2-k]phenanthridine-9,9'-fluorene]
CID 146613055
2-phenyl-4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,4-dihydro-1,3,5-triazine
CID 152940475
2-(11,11-dimethylbenzo[b]fluoren-5-yl)-6-phenyl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 167196177
2-[4-[4-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenyl-1-(3-phenylphenyl)-1,2-dihydrothieno[2,3-c]quinoline
CID 155033243
2-naphthalen-2-yl-6-(4-phenylphenyl)-4-spiro[fluorene-9,9'-xanthene]-2-yl-1,4-dihydro-1,3,5-triazine
CID 146321910
4-(4-phenanthren-9-ylphenyl)-2-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,4-dihydro-1,3,5-triazine
CID 154931849
2-naphthalen-2-yl-6-phenyl-4-(5-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-yl)-1,4-dihydro-1,3,5-triazine
CID 170412039
2-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-amine
CID 139476231
2-(4-dibenzofuran-4-ylphenyl)-6-phenyl-4-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,4-dihydro-1,3,5-triazine
CID 146321898
2-(6-naphthalen-1-ylnaphthalen-2-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 170179928
2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-6-phenyl-4-triphenylen-2-yl-1,4-dihydro-1,3,5-triazine
CID 174294989
CID 129099533
CID 129099533

Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]phenyl]spiro[8a,14a-dihydrochromeno[3,2-k]phenanthridine-9,9'-fluorene]?
The IUPAC name of 6-[4-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]phenyl]spiro[8a,14a-dihydrochromeno[3,2-k]phenanthridine-9,9'-fluorene] (CID 146613062) is 6-[4-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]phenyl]spiro[8a,14a-dihydrochromeno[3,2-k]phenanthridine-9,9'-fluorene].
What is the SMILES notation for 6-[4-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]phenyl]spiro[8a,14a-dihydrochromeno[3,2-k]phenanthridine-9,9'-fluorene]?
The canonical SMILES for 6-[4-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]phenyl]spiro[8a,14a-dihydrochromeno[3,2-k]phenanthridine-9,9'-fluorene] is C1=CC2C(Oc3ccccc3C23c2ccccc2-c2ccccc23)c2c1c(-c1ccc(-c3ccc(C4N=C(c5ccccc5)NC(c5ccccc5)=N4)cc3)cc1)nc1ccccc21.
What is the InChIKey of 6-[4-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]phenyl]spiro[8a,14a-dihydrochromeno[3,2-k]phenanthridine-9,9'-fluorene]?
The InChIKey is BJUDFYYBVZOQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H40N4O/c1-3-15-40(16-4-1)56-61-57(41-17-5-2-6-18-41)63-58(62-56)42-33-29-38(30-34-42)37-27-31-39(32-28-37)54-46-35-36-50-55(53(46)45-21-9-13-25-51(45)60-54)64-52-26-14-12-24-49(52)59(50)47-22-10-7-19-43(47)44-20-8-11-23-48(44)59/h1-36,50,55,58H,(H,61,62,63).
What are the key properties of 6-[4-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]phenyl]spiro[8a,14a-dihydrochromeno[3,2-k]phenanthridine-9,9'-fluorene]?
6-[4-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]phenyl]spiro[8a,14a-dihydrochromeno[3,2-k]phenanthridine-9,9'-fluorene] has a molecular weight of 821.00 g/mol, XLogP of 13.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]phenyl]spiro[8a,14a-dihydrochromeno[3,2-k]phenanthridine-9,9'-fluorene] is sourced from PubChem (CID 146613062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).