2,4-diphenyl-6-[1-(9,9'-spirobi[fluorene]-2-yl)naphthalen-2-yl]-1,3,5-triazinane

C50H37N3 — CID 129099480

IUPAC2,4-diphenyl-6-[1-(9,9'-spirobi[fluorene]-2-yl)naphthalen-2-yl]-1,3,5-triazinane
SMILESc1ccc(C2NC(c3ccccc3)NC(c3ccc4ccccc4c3-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)N2)cc1
InChIInChI=1S/C50H37N3/c1-3-16-33(17-4-1)47-51-48(34-18-5-2-6-19-34)53-49(52-47)41-30-27-32-15-7-8-20-36(32)46(41)35-28-29-40-39-23-11-14-26-44(39)50(45(40)31-35)42-24-12-9-21-37(42)38-22-10-13-25-43(38)50/h1-31,47-49,51-53H
InChIKeyQOERKZADIKALAD-UHFFFAOYSA-N
MW679.87 g/mol
LogP11.03
Rot. Bonds4

About 2,4-diphenyl-6-[1-(9,9'-spirobi[fluorene]-2-yl)naphthalen-2-yl]-1,3,5-triazinane

2,4-diphenyl-6-[1-(9,9'-spirobi[fluorene]-2-yl)naphthalen-2-yl]-1,3,5-triazinane (PubChem CID 129099480) has the molecular formula C50H37N3 and a molecular weight of 679.87 g/mol. Its IUPAC name is 2,4-diphenyl-6-[1-(9,9'-spirobi[fluorene]-2-yl)naphthalen-2-yl]-1,3,5-triazinane.

Molecular Properties

Compound Name2,4-diphenyl-6-[1-(9,9'-spirobi[fluorene]-2-yl)naphthalen-2-yl]-1,3,5-triazinane
PubChem CID129099480
Molecular FormulaC50H37N3
Molecular Weight679.87 g/mol
Exact Mass679.30
IUPAC Name2,4-diphenyl-6-[1-(9,9'-spirobi[fluorene]-2-yl)naphthalen-2-yl]-1,3,5-triazinane
SMILESc1ccc(C2NC(c3ccccc3)NC(c3ccc4ccccc4c3-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)N2)cc1
InChIInChI=1S/C50H37N3/c1-3-16-33(17-4-1)47-51-48(34-18-5-2-6-19-34)53-49(52-47)41-30-27-32-15-7-8-20-36(32)46(41)35-28-29-40-39-23-11-14-26-44(39)50(45(40)31-35)42-24-12-9-21-37(42)38-22-10-13-25-43(38)50/h1-31,47-49,51-53H
InChIKeyQOERKZADIKALAD-UHFFFAOYSA-N
XLogP11.03
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.87
LogP ≤ 511.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

7-[4-[2-(4,6-diphenyl-1,3,5-triazinan-2-yl)naphthalen-1-yl]phenyl]-9,9-dimethylfluorene-2-carbonitrile
CID 129099165
2-[1-(3-methylphenyl)naphthalen-2-yl]-9,9'-spirobi[fluorene]
CID 145414946
2-[2,3,4,5,6-pentakis(9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9'-spirobi[fluorene]
CID 101469787
2-[3-[3-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 154591149
2,4-bis(3-phenylphenyl)-6-spiro[benzo[c]fluorene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-1,3,5-triazine
CID 134574249
2'-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazinan-2-yl]phenyl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 129263734
2'-benzo[a]anthracen-8-yl-7'-benzo[a]anthracen-11-yl-9,9'-spirobi[fluorene]
CID 123728298
2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-9,9'-spirobi[fluorene]
CID 58251701
2'-(10-phenylanthracen-9-yl)-7'-[4-(10-phenylanthracen-9-yl)phenyl]-9,9'-spirobi[fluorene]
CID 58174877
2'-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]spiro[benzo[a]phenalene-7,9'-fluorene]
CID 153485112
2-[1-[4-(2,6-diphenyl-1,2,3,4-tetrahydropyrimidin-4-yl)phenyl]naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazinane
CID 129099634
2-naphthalen-1-ylspiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]
CID 140873354

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[1-(9,9'-spirobi[fluorene]-2-yl)naphthalen-2-yl]-1,3,5-triazinane?
The IUPAC name of 2,4-diphenyl-6-[1-(9,9'-spirobi[fluorene]-2-yl)naphthalen-2-yl]-1,3,5-triazinane (CID 129099480) is 2,4-diphenyl-6-[1-(9,9'-spirobi[fluorene]-2-yl)naphthalen-2-yl]-1,3,5-triazinane.
What is the SMILES notation for 2,4-diphenyl-6-[1-(9,9'-spirobi[fluorene]-2-yl)naphthalen-2-yl]-1,3,5-triazinane?
The canonical SMILES for 2,4-diphenyl-6-[1-(9,9'-spirobi[fluorene]-2-yl)naphthalen-2-yl]-1,3,5-triazinane is c1ccc(C2NC(c3ccccc3)NC(c3ccc4ccccc4c3-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)N2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[1-(9,9'-spirobi[fluorene]-2-yl)naphthalen-2-yl]-1,3,5-triazinane?
The InChIKey is QOERKZADIKALAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H37N3/c1-3-16-33(17-4-1)47-51-48(34-18-5-2-6-19-34)53-49(52-47)41-30-27-32-15-7-8-20-36(32)46(41)35-28-29-40-39-23-11-14-26-44(39)50(45(40)31-35)42-24-12-9-21-37(42)38-22-10-13-25-43(38)50/h1-31,47-49,51-53H.
What are the key properties of 2,4-diphenyl-6-[1-(9,9'-spirobi[fluorene]-2-yl)naphthalen-2-yl]-1,3,5-triazinane?
2,4-diphenyl-6-[1-(9,9'-spirobi[fluorene]-2-yl)naphthalen-2-yl]-1,3,5-triazinane has a molecular weight of 679.87 g/mol, XLogP of 11.03, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[1-(9,9'-spirobi[fluorene]-2-yl)naphthalen-2-yl]-1,3,5-triazinane is sourced from PubChem (CID 129099480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).