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]

C59H44N4O — CID 146613055

IUPAC6-[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]
SMILESC1=CCC(C2=NC(c3cccc(C4=CCC(c5nc6ccccc6c6c5C=CC5C6Oc6ccccc6C56c5ccccc5-c5ccccc56)C=C4)c3)N=C(c3ccccc3)N2)C=C1
InChIInChI=1S/C59H44N4O/c1-3-16-39(17-4-1)56-61-57(40-18-5-2-6-19-40)63-58(62-56)42-21-15-20-41(36-42)37-30-32-38(33-31-37)54-46-34-35-50-55(53(46)45-24-9-13-28-51(45)60-54)64-52-29-14-12-27-49(52)59(50)47-25-10-7-22-43(47)44-23-8-11-26-48(44)59/h1-18,20-32,34-36,38,40,50,55,58H,19,33H2,(H,61,62,63)
InChIKeyZNXLXSORUFJICX-UHFFFAOYSA-N
MW825.03 g/mol
LogP13.03
Rot. Bonds5

About 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]

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] (PubChem CID 146613055) has the molecular formula C59H44N4O and a molecular weight of 825.03 g/mol. Its IUPAC name is 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].

Molecular Properties

Compound Name6-[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]
PubChem CID146613055
Molecular FormulaC59H44N4O
Molecular Weight825.03 g/mol
Exact Mass824.35
IUPAC Name6-[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]
SMILESC1=CCC(C2=NC(c3cccc(C4=CCC(c5nc6ccccc6c6c5C=CC5C6Oc6ccccc6C56c5ccccc5-c5ccccc56)C=C4)c3)N=C(c3ccccc3)N2)C=C1
InChIInChI=1S/C59H44N4O/c1-3-16-39(17-4-1)56-61-57(40-18-5-2-6-19-40)63-58(62-56)42-21-15-20-41(36-42)37-30-32-38(33-31-37)54-46-34-35-50-55(53(46)45-24-9-13-28-51(45)60-54)64-52-29-14-12-27-49(52)59(50)47-25-10-7-22-43(47)44-23-8-11-26-48(44)59/h1-18,20-32,34-36,38,40,50,55,58H,19,33H2,(H,61,62,63)
InChIKeyZNXLXSORUFJICX-UHFFFAOYSA-N
XLogP13.03
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500825.03
LogP ≤ 513.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 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] with MolForge

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Related Compounds

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
2-[4-[3-(6-cyclohexa-1,3-dien-1-yl-11,11-diphenylbenzo[a]fluoren-9-yl)phenyl]cyclohexa-2,4-dien-1-yl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 170411701
5-[3-[2-cyclohexa-2,4-dien-1-yl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-7-phenylindolo[2,3-b]carbazole
CID 144947118
25-[4-[4-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)cyclohexa-2,4-dien-1-yl]phenyl]-4,11-dioxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3(12),5,7,9,13,15,17,19,21,23-undecaene
CID 145442084
4-cyclohexa-1,3-dien-1-yl-2-[4-(6-cyclohexa-2,4-dien-1-yl-4,5-diphenyl-1,2-dihydropyrimidin-2-yl)cyclohexa-2,4-dien-1-yl]-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 139525718
2-cyclohexa-2,4-dien-1-yl-6-[3-(1-methyl-2H-pyridin-6-yl)-5-pyrrol-1-ium-2-ylphenyl]-4-phenyl-1,4-dihydro-1,3,5-triazine
CID 170228614
2-(4-cyclohexa-2,4-dien-1-ylphenyl)-6-[11,11-dimethyl-2-[4-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]benzo[b]fluoren-5-yl]-4-phenyl-1,4-dihydro-1,3,5-triazine
CID 167196515
4-[2-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-3-yl]cyclohexa-1,5-diene-1-carbonitrile
CID 139476235
N-[6-(4-cyclohexa-2,4-dien-1-ylphenyl)-9-phenylcarbazol-3-yl]-N-naphthalen-1-yl-9-phenyl-6-(4-phenylcyclohexa-1,5-dien-1-yl)carbazol-3-amine
CID 163564194
4-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 139400710
4-(3-naphtho[2,1-b][1]benzofuran-11-ylphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 142294091
5-[4-[(9R)-7'-(2,6-diphenylpyrimidin-4-yl)spiro[4a,9a-dihydroxanthene-9,9'-fluorene]-2'-yl]phenyl]quinoline
CID 146547855

Frequently Asked Questions

What is the IUPAC name of 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]?
The IUPAC name of 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) is 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].
What is the SMILES notation for 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]?
The canonical SMILES for 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] is C1=CCC(C2=NC(c3cccc(C4=CCC(c5nc6ccccc6c6c5C=CC5C6Oc6ccccc6C56c5ccccc5-c5ccccc56)C=C4)c3)N=C(c3ccccc3)N2)C=C1.
What is the InChIKey of 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]?
The InChIKey is ZNXLXSORUFJICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H44N4O/c1-3-16-39(17-4-1)56-61-57(40-18-5-2-6-19-40)63-58(62-56)42-21-15-20-41(36-42)37-30-32-38(33-31-37)54-46-34-35-50-55(53(46)45-24-9-13-28-51(45)60-54)64-52-29-14-12-27-49(52)59(50)47-25-10-7-22-43(47)44-23-8-11-26-48(44)59/h1-18,20-32,34-36,38,40,50,55,58H,19,33H2,(H,61,62,63).
What are the key properties of 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]?
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] has a molecular weight of 825.03 g/mol, XLogP of 13.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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] is sourced from PubChem (CID 146613055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).