2,4-diphenyl-6-(2-phenylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-yl)-1,3,5-triazine

C56H33N3 — CID 166026039

IUPAC2,4-diphenyl-6-(2-phenylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3c2cc2c(c3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)-c3cccc4cccc-2c34)cc1
InChIInChI=1S/C56H33N3/c1-4-16-34(17-5-1)38-30-31-40-39-24-10-12-28-45(39)56(47(40)32-38)46-29-13-11-25-42(46)51-48(56)33-44-41-26-14-22-35-23-15-27-43(49(35)41)50(44)52(51)55-58-53(36-18-6-2-7-19-36)57-54(59-55)37-20-8-3-9-21-37/h1-33H
InChIKeyASDRXYKLGARJLY-UHFFFAOYSA-N
MW747.90 g/mol
LogP13.68
Rot. Bonds4

About 2,4-diphenyl-6-(2-phenylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-yl)-1,3,5-triazine

2,4-diphenyl-6-(2-phenylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-yl)-1,3,5-triazine (PubChem CID 166026039) has the molecular formula C56H33N3 and a molecular weight of 747.90 g/mol. Its IUPAC name is 2,4-diphenyl-6-(2-phenylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-(2-phenylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-yl)-1,3,5-triazine
PubChem CID166026039
Molecular FormulaC56H33N3
Molecular Weight747.90 g/mol
Exact Mass747.27
IUPAC Name2,4-diphenyl-6-(2-phenylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3c2cc2c(c3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)-c3cccc4cccc-2c34)cc1
InChIInChI=1S/C56H33N3/c1-4-16-34(17-5-1)38-30-31-40-39-24-10-12-28-45(39)56(47(40)32-38)46-29-13-11-25-42(46)51-48(56)33-44-41-26-14-22-35-23-15-27-43(49(35)41)50(44)52(51)55-58-53(36-18-6-2-7-19-36)57-54(59-55)37-20-8-3-9-21-37/h1-33H
InChIKeyASDRXYKLGARJLY-UHFFFAOYSA-N
XLogP13.68
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.90
LogP ≤ 513.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,4-diphenyl-6-(2-phenylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-yl)-1,3,5-triazine with MolForge

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Related Compounds

2-phenyl-4-(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 129150894
2,4-diphenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 118426846
2-[4-[3-(3-phenylphenyl)phenyl]phenyl]-4-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-6-[4-[3-[3-[3-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 167230238
2,4-bis(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine;2-phenyl-4-[3-(4-phenylphenyl)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 161036393
2-[3-(3-phenylphenyl)phenyl]-4-[4-[3-(3-phenylphenyl)phenyl]phenyl]-6-[3-[3-[3-[3-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 167230309
2-[4-(3-phenylphenyl)phenyl]-4-[3-[3-(3-phenylphenyl)phenyl]phenyl]-6-[4-[3-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 167230136
2-[3-(3-phenylphenyl)phenyl]-4-[4-(3-phenylphenyl)phenyl]-6-[3-[3-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 167230102
2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 139521321
2,4-diphenyl-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 149015479
4-phenyl-2-spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-ylquinazoline
CID 166026093
2,4-bis(3-phenylphenyl)-6-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine
CID 146648937
2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-yl-1,3,5-triazine
CID 146778446

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-(2-phenylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-yl)-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-(2-phenylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-yl)-1,3,5-triazine (CID 166026039) is 2,4-diphenyl-6-(2-phenylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-yl)-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-(2-phenylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-yl)-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-(2-phenylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-yl)-1,3,5-triazine is c1ccc(-c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3c2cc2c(c3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)-c3cccc4cccc-2c34)cc1.
What is the InChIKey of 2,4-diphenyl-6-(2-phenylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-yl)-1,3,5-triazine?
The InChIKey is ASDRXYKLGARJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H33N3/c1-4-16-34(17-5-1)38-30-31-40-39-24-10-12-28-45(39)56(47(40)32-38)46-29-13-11-25-42(46)51-48(56)33-44-41-26-14-22-35-23-15-27-43(49(35)41)50(44)52(51)55-58-53(36-18-6-2-7-19-36)57-54(59-55)37-20-8-3-9-21-37/h1-33H.
What are the key properties of 2,4-diphenyl-6-(2-phenylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-yl)-1,3,5-triazine?
2,4-diphenyl-6-(2-phenylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-yl)-1,3,5-triazine has a molecular weight of 747.90 g/mol, XLogP of 13.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-(2-phenylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-yl)-1,3,5-triazine is sourced from PubChem (CID 166026039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).