7-(4-phenylnaphthalen-2-yl)-21-azanonacyclo[24.2.2.213,16.15,21.02,24.04,22.010,20.012,18.09,31]tritriaconta-2(24),3,5,7,9(31),10,12(18),14,19,22,27,29,32-tridecaene-17,25-dione

C48H29NO2 — CID 164528494

IUPAC7-(4-phenylnaphthalen-2-yl)-21-azanonacyclo[24.2.2.213,16.15,21.02,24.04,22.010,20.012,18.09,31]tritriaconta-2(24),3,5,7,9(31),10,12(18),14,19,22,27,29,32-tridecaene-17,25-dione
SMILESO=C1c2cc3c(cc2C2C=CC1C=C2)c1cc(-c2cc(-c4ccccc4)c4ccccc4c2)cc2c4cc5c(cc4n3c12)C(=O)C1C=CC5C=C1
InChIInChI=1S/C48H29NO2/c50-47-29-14-10-27(11-15-29)36-22-38-40-20-33(32-18-31-8-4-5-9-34(31)35(19-32)26-6-2-1-3-7-26)21-41-39-23-37-28-12-16-30(17-13-28)48(51)43(37)25-45(39)49(46(40)41)44(38)24-42(36)47/h1-25,27-30H
InChIKeyJCHQEWJNVXLCEO-UHFFFAOYSA-N
MW651.77 g/mol
LogP11.37
Rot. Bonds2

About 7-(4-phenylnaphthalen-2-yl)-21-azanonacyclo[24.2.2.213,16.15,21.02,24.04,22.010,20.012,18.09,31]tritriaconta-2(24),3,5,7,9(31),10,12(18),14,19,22,27,29,32-tridecaene-17,25-dione

7-(4-phenylnaphthalen-2-yl)-21-azanonacyclo[24.2.2.213,16.15,21.02,24.04,22.010,20.012,18.09,31]tritriaconta-2(24),3,5,7,9(31),10,12(18),14,19,22,27,29,32-tridecaene-17,25-dione (PubChem CID 164528494) has the molecular formula C48H29NO2 and a molecular weight of 651.77 g/mol. Its IUPAC name is 7-(4-phenylnaphthalen-2-yl)-21-azanonacyclo[24.2.2.213,16.15,21.02,24.04,22.010,20.012,18.09,31]tritriaconta-2(24),3,5,7,9(31),10,12(18),14,19,22,27,29,32-tridecaene-17,25-dione.

Molecular Properties

Compound Name7-(4-phenylnaphthalen-2-yl)-21-azanonacyclo[24.2.2.213,16.15,21.02,24.04,22.010,20.012,18.09,31]tritriaconta-2(24),3,5,7,9(31),10,12(18),14,19,22,27,29,32-tridecaene-17,25-dione
PubChem CID164528494
Molecular FormulaC48H29NO2
Molecular Weight651.77 g/mol
Exact Mass651.22
IUPAC Name7-(4-phenylnaphthalen-2-yl)-21-azanonacyclo[24.2.2.213,16.15,21.02,24.04,22.010,20.012,18.09,31]tritriaconta-2(24),3,5,7,9(31),10,12(18),14,19,22,27,29,32-tridecaene-17,25-dione
SMILESO=C1c2cc3c(cc2C2C=CC1C=C2)c1cc(-c2cc(-c4ccccc4)c4ccccc4c2)cc2c4cc5c(cc4n3c12)C(=O)C1C=CC5C=C1
InChIInChI=1S/C48H29NO2/c50-47-29-14-10-27(11-15-29)36-22-38-40-20-33(32-18-31-8-4-5-9-34(31)35(19-32)26-6-2-1-3-7-26)21-41-39-23-37-28-12-16-30(17-13-28)48(51)43(37)25-45(39)49(46(40)41)44(38)24-42(36)47/h1-25,27-30H
InChIKeyJCHQEWJNVXLCEO-UHFFFAOYSA-N
XLogP11.37
TPSA38.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.77
LogP ≤ 511.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-(4-phenylnaphthalen-2-yl)-21-azanonacyclo[24.2.2.213,16.15,21.02,24.04,22.010,20.012,18.09,31]tritriaconta-2(24),3,5,7,9(31),10,12(18),14,19,22,27,29,32-tridecaene-17,25-dione with MolForge

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Related Compounds

7-[14-(3,5-diphenylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17,19,21,23,25-tridecaen-8-yl]-14-phenyl-21-[14-(4-phenylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17,19,21,23,25-tridecaen-8-yl]-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene
CID 167306774
12,12,13,13,14,14-hexafluoro-7-(2,4,6-triphenylphenyl)-16,19-diazaoctacyclo[22.2.2.15,9.02,22.04,20.010,18.011,15.019,29]nonacosa-2(22),3,5(29),6,8,10,15,17,20-nonaen-23-one
CID 167125538
5,10-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 162740169
5-[4-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]naphthalen-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 118517585
3-(3-fluorophenyl)-1-phenylnaphthalene
CID 176904278
24-(3-phenanthren-9-ylphenyl)-20-azaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14,16,18,21(26),22,24,27,29-pentadecaene
CID 139574671
12-[4-(4-phenylnaphthalen-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),3,5,7,9,14,16,18,20-nonaene
CID 146360669
3-(4-phenoxyphenyl)-1-phenylnaphthalene
CID 176904276
9-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]-10-(4-phenylnaphthalen-2-yl)anthracene
CID 140754630
9-[3-(6-naphthalen-2-yl-4,8-diphenylnaphthalen-2-yl)phenyl]phenanthrene
CID 58160982
1,3-diphenylphenanthrene
CID 13011098
6-naphthalen-1-yl-1,3,9-triphenylcarbazole
CID 118448580

Frequently Asked Questions

What is the IUPAC name of 7-(4-phenylnaphthalen-2-yl)-21-azanonacyclo[24.2.2.213,16.15,21.02,24.04,22.010,20.012,18.09,31]tritriaconta-2(24),3,5,7,9(31),10,12(18),14,19,22,27,29,32-tridecaene-17,25-dione?
The IUPAC name of 7-(4-phenylnaphthalen-2-yl)-21-azanonacyclo[24.2.2.213,16.15,21.02,24.04,22.010,20.012,18.09,31]tritriaconta-2(24),3,5,7,9(31),10,12(18),14,19,22,27,29,32-tridecaene-17,25-dione (CID 164528494) is 7-(4-phenylnaphthalen-2-yl)-21-azanonacyclo[24.2.2.213,16.15,21.02,24.04,22.010,20.012,18.09,31]tritriaconta-2(24),3,5,7,9(31),10,12(18),14,19,22,27,29,32-tridecaene-17,25-dione.
What is the SMILES notation for 7-(4-phenylnaphthalen-2-yl)-21-azanonacyclo[24.2.2.213,16.15,21.02,24.04,22.010,20.012,18.09,31]tritriaconta-2(24),3,5,7,9(31),10,12(18),14,19,22,27,29,32-tridecaene-17,25-dione?
The canonical SMILES for 7-(4-phenylnaphthalen-2-yl)-21-azanonacyclo[24.2.2.213,16.15,21.02,24.04,22.010,20.012,18.09,31]tritriaconta-2(24),3,5,7,9(31),10,12(18),14,19,22,27,29,32-tridecaene-17,25-dione is O=C1c2cc3c(cc2C2C=CC1C=C2)c1cc(-c2cc(-c4ccccc4)c4ccccc4c2)cc2c4cc5c(cc4n3c12)C(=O)C1C=CC5C=C1.
What is the InChIKey of 7-(4-phenylnaphthalen-2-yl)-21-azanonacyclo[24.2.2.213,16.15,21.02,24.04,22.010,20.012,18.09,31]tritriaconta-2(24),3,5,7,9(31),10,12(18),14,19,22,27,29,32-tridecaene-17,25-dione?
The InChIKey is JCHQEWJNVXLCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29NO2/c50-47-29-14-10-27(11-15-29)36-22-38-40-20-33(32-18-31-8-4-5-9-34(31)35(19-32)26-6-2-1-3-7-26)21-41-39-23-37-28-12-16-30(17-13-28)48(51)43(37)25-45(39)49(46(40)41)44(38)24-42(36)47/h1-25,27-30H.
What are the key properties of 7-(4-phenylnaphthalen-2-yl)-21-azanonacyclo[24.2.2.213,16.15,21.02,24.04,22.010,20.012,18.09,31]tritriaconta-2(24),3,5,7,9(31),10,12(18),14,19,22,27,29,32-tridecaene-17,25-dione?
7-(4-phenylnaphthalen-2-yl)-21-azanonacyclo[24.2.2.213,16.15,21.02,24.04,22.010,20.012,18.09,31]tritriaconta-2(24),3,5,7,9(31),10,12(18),14,19,22,27,29,32-tridecaene-17,25-dione has a molecular weight of 651.77 g/mol, XLogP of 11.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-phenylnaphthalen-2-yl)-21-azanonacyclo[24.2.2.213,16.15,21.02,24.04,22.010,20.012,18.09,31]tritriaconta-2(24),3,5,7,9(31),10,12(18),14,19,22,27,29,32-tridecaene-17,25-dione is sourced from PubChem (CID 164528494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).