2-naphthalen-1-yl-4-phenyl-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-4-yl-1,4-dihydro-1,3,5-triazine

C46H29N3 — CID 155372418

IUPAC2-naphthalen-1-yl-4-phenyl-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-4-yl-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(C2N=C(c3cccc4c3-c3ccccc3C43c4cccc5ccc6cccc3c6c45)NC(c3cccc4ccccc34)=N2)cc1
InChIInChI=1S/C46H29N3/c1-2-13-31(14-3-1)43-47-44(33-20-8-15-28-12-4-5-18-32(28)33)49-45(48-43)35-21-11-25-39-42(35)34-19-6-7-22-36(34)46(39)37-23-9-16-29-26-27-30-17-10-24-38(46)41(30)40(29)37/h1-27,43H,(H,47,48,49)
InChIKeyZLGKYWDIYKESIJ-UHFFFAOYSA-N
MW623.76 g/mol
LogP10.32
Rot. Bonds3

About 2-naphthalen-1-yl-4-phenyl-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-4-yl-1,4-dihydro-1,3,5-triazine

2-naphthalen-1-yl-4-phenyl-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-4-yl-1,4-dihydro-1,3,5-triazine (PubChem CID 155372418) has the molecular formula C46H29N3 and a molecular weight of 623.76 g/mol. Its IUPAC name is 2-naphthalen-1-yl-4-phenyl-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-4-yl-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name2-naphthalen-1-yl-4-phenyl-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-4-yl-1,4-dihydro-1,3,5-triazine
PubChem CID155372418
Molecular FormulaC46H29N3
Molecular Weight623.76 g/mol
Exact Mass623.24
IUPAC Name2-naphthalen-1-yl-4-phenyl-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-4-yl-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(C2N=C(c3cccc4c3-c3ccccc3C43c4cccc5ccc6cccc3c6c45)NC(c3cccc4ccccc34)=N2)cc1
InChIInChI=1S/C46H29N3/c1-2-13-31(14-3-1)43-47-44(33-20-8-15-28-12-4-5-18-32(28)33)49-45(48-43)35-21-11-25-39-42(35)34-19-6-7-22-36(34)46(39)37-23-9-16-29-26-27-30-17-10-24-38(46)41(30)40(29)37/h1-27,43H,(H,47,48,49)
InChIKeyZLGKYWDIYKESIJ-UHFFFAOYSA-N
XLogP10.32
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.76
LogP ≤ 510.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-naphthalen-1-yl-4-phenyl-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-4-yl-1,4-dihydro-1,3,5-triazine with MolForge

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Related Compounds

2-[5-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-1-yl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 146495104
4-(4-phenanthren-9-ylphenyl)-2-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,4-dihydro-1,3,5-triazine
CID 154931849
4-phenyl-2-spiro[2-thiapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-yl-1,4-dihydroquinazoline
CID 163412132
2,4-diphenyl-6-[8-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine;hydroiodide
CID 156734683
2-(6-naphthalen-1-ylnaphthalen-2-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 170179928
4-[2,5-bis(9,9-dimethylfluoren-4-yl)phenyl]-2-naphthalen-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 145377617
2-naphthalen-1-yl-4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine
CID 146649139
2-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-4-spiro[fluorene-9,9'-xanthene]-4-yl-1,4-dihydro-1,3,5-triazine
CID 154931855
2-phenyl-6-(4-phenylnaphthalen-1-yl)-4-spiro[fluorene-9,9'-xanthene]-4-yl-1,4-dihydro-1,3,5-triazine
CID 154931854
3'-(10-phenylanthracen-9-yl)spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene]
CID 59702604
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
9-(6-chrysen-6-yl-4-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]pyridine
CID 166801253

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-4-phenyl-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-4-yl-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 2-naphthalen-1-yl-4-phenyl-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-4-yl-1,4-dihydro-1,3,5-triazine (CID 155372418) is 2-naphthalen-1-yl-4-phenyl-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-4-yl-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 2-naphthalen-1-yl-4-phenyl-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-4-yl-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 2-naphthalen-1-yl-4-phenyl-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-4-yl-1,4-dihydro-1,3,5-triazine is c1ccc(C2N=C(c3cccc4c3-c3ccccc3C43c4cccc5ccc6cccc3c6c45)NC(c3cccc4ccccc34)=N2)cc1.
What is the InChIKey of 2-naphthalen-1-yl-4-phenyl-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-4-yl-1,4-dihydro-1,3,5-triazine?
The InChIKey is ZLGKYWDIYKESIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N3/c1-2-13-31(14-3-1)43-47-44(33-20-8-15-28-12-4-5-18-32(28)33)49-45(48-43)35-21-11-25-39-42(35)34-19-6-7-22-36(34)46(39)37-23-9-16-29-26-27-30-17-10-24-38(46)41(30)40(29)37/h1-27,43H,(H,47,48,49).
What are the key properties of 2-naphthalen-1-yl-4-phenyl-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-4-yl-1,4-dihydro-1,3,5-triazine?
2-naphthalen-1-yl-4-phenyl-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-4-yl-1,4-dihydro-1,3,5-triazine has a molecular weight of 623.76 g/mol, XLogP of 10.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-4-phenyl-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-4-yl-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 155372418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).