2,4-dinaphthalen-1-yl-6-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl-1,3,5-triazine

C58H33N3 — CID 134528161

IUPAC2,4-dinaphthalen-1-yl-6-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl-1,3,5-triazine
SMILESc1ccc2c(c1)-c1cccc3c4c(cc-2c13)C1(c2ccccc2-c2ccc(-c3nc(-c5cccc6ccccc56)nc(-c5cccc6ccccc56)n3)cc21)c1ccccc1-4
InChIInChI=1S/C58H33N3/c1-3-18-37-34(14-1)16-11-25-44(37)56-59-55(60-57(61-56)45-26-12-17-35-15-2-4-19-38(35)45)36-30-31-42-41-22-7-9-28-49(41)58(51(42)32-36)50-29-10-8-23-46(50)54-47-27-13-24-43-39-20-5-6-21-40(39)48(53(43)47)33-52(54)58/h1-33H
InChIKeyKLIRLGPBYFKAEF-UHFFFAOYSA-N
MW771.92 g/mol
LogP14.32
Rot. Bonds3

About 2,4-dinaphthalen-1-yl-6-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl-1,3,5-triazine

2,4-dinaphthalen-1-yl-6-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl-1,3,5-triazine (PubChem CID 134528161) has the molecular formula C58H33N3 and a molecular weight of 771.92 g/mol. Its IUPAC name is 2,4-dinaphthalen-1-yl-6-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dinaphthalen-1-yl-6-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl-1,3,5-triazine
PubChem CID134528161
Molecular FormulaC58H33N3
Molecular Weight771.92 g/mol
Exact Mass771.27
IUPAC Name2,4-dinaphthalen-1-yl-6-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl-1,3,5-triazine
SMILESc1ccc2c(c1)-c1cccc3c4c(cc-2c13)C1(c2ccccc2-c2ccc(-c3nc(-c5cccc6ccccc56)nc(-c5cccc6ccccc56)n3)cc21)c1ccccc1-4
InChIInChI=1S/C58H33N3/c1-3-18-37-34(14-1)16-11-25-44(37)56-59-55(60-57(61-56)45-26-12-17-35-15-2-4-19-38(35)45)36-30-31-42-41-22-7-9-28-49(41)58(51(42)32-36)50-29-10-8-23-46(50)54-47-27-13-24-43-39-20-5-6-21-40(39)48(53(43)47)33-52(54)58/h1-33H
InChIKeyKLIRLGPBYFKAEF-UHFFFAOYSA-N
XLogP14.32
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500771.92
LogP ≤ 514.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,4-dinaphthalen-1-yl-6-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl-1,3,5-triazine with MolForge

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Related Compounds

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]-2-yl-1,3,5-triazine
CID 153357769
2-(5-naphthalen-1-ylnaphthalen-1-yl)-4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
CID 176587539
spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]
CID 58390351
4,6-diphenyl-2-spiro[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]-3-ylpyrimidine;4,6-diphenyl-2-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-3-ylpyrimidine;2,4-diphenyl-6-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-4-yl-1,3,5-triazine
CID 157349168
16'-phenanthren-2-ylspiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13(18),14,16,19,21-undecaene]
CID 58390378
16'-phenanthren-1-ylspiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13(18),14,16,19,21-undecaene]
CID 58390390
2-(3,5-diphenylphenyl)spiro[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];2-(3,5-diphenylphenyl)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene];2-naphthalen-1-ylspiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene];2-(3-phenylphenyl)spiro[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];2-(3-phenylphenyl)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]
CID 158693788
2-phenyl-4-(4-phenylphenyl)-6-spiro[hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene-9,14'-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 134574301
2-naphthalen-1-yl-4-phenyl-6-[2-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 146648554
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-dinaphthalen-2-yl-6-spiro[benzo[c]fluorene-7,9'-fluorene]-5-yl-1,3,5-triazine
CID 58233397
CID 146495903
CID 146495903

Frequently Asked Questions

What is the IUPAC name of 2,4-dinaphthalen-1-yl-6-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl-1,3,5-triazine?
The IUPAC name of 2,4-dinaphthalen-1-yl-6-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl-1,3,5-triazine (CID 134528161) is 2,4-dinaphthalen-1-yl-6-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl-1,3,5-triazine.
What is the SMILES notation for 2,4-dinaphthalen-1-yl-6-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl-1,3,5-triazine?
The canonical SMILES for 2,4-dinaphthalen-1-yl-6-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl-1,3,5-triazine is c1ccc2c(c1)-c1cccc3c4c(cc-2c13)C1(c2ccccc2-c2ccc(-c3nc(-c5cccc6ccccc56)nc(-c5cccc6ccccc56)n3)cc21)c1ccccc1-4.
What is the InChIKey of 2,4-dinaphthalen-1-yl-6-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl-1,3,5-triazine?
The InChIKey is KLIRLGPBYFKAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H33N3/c1-3-18-37-34(14-1)16-11-25-44(37)56-59-55(60-57(61-56)45-26-12-17-35-15-2-4-19-38(35)45)36-30-31-42-41-22-7-9-28-49(41)58(51(42)32-36)50-29-10-8-23-46(50)54-47-27-13-24-43-39-20-5-6-21-40(39)48(53(43)47)33-52(54)58/h1-33H.
What are the key properties of 2,4-dinaphthalen-1-yl-6-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl-1,3,5-triazine?
2,4-dinaphthalen-1-yl-6-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl-1,3,5-triazine has a molecular weight of 771.92 g/mol, XLogP of 14.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dinaphthalen-1-yl-6-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl-1,3,5-triazine is sourced from PubChem (CID 134528161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).