12-(6-naphthalen-2-ylnaphthalen-2-yl)-2,9,17,24-tetrazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(24),3,5,7,9,11,13,15,18,20,22-undecaene

C40H24N4 — CID 147010243

IUPAC12-(6-naphthalen-2-ylnaphthalen-2-yl)-2,9,17,24-tetrazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(24),3,5,7,9,11,13,15,18,20,22-undecaene
SMILESc1ccc2cc(-c3ccc4cc(-c5cccc6c5c5nc7ccccc7n5c5nc7ccccc7n65)ccc4c3)ccc2c1
InChIInChI=1S/C40H24N4/c1-2-9-26-22-27(17-16-25(26)8-1)28-18-19-30-24-31(21-20-29(30)23-28)32-10-7-15-37-38(32)39-41-33-11-3-6-14-36(33)44(39)40-42-34-12-4-5-13-35(34)43(37)40/h1-24H
InChIKeyATSPFIDXYIODFX-UHFFFAOYSA-N
MW560.66 g/mol
LogP10.08
Rot. Bonds2

About 12-(6-naphthalen-2-ylnaphthalen-2-yl)-2,9,17,24-tetrazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(24),3,5,7,9,11,13,15,18,20,22-undecaene

12-(6-naphthalen-2-ylnaphthalen-2-yl)-2,9,17,24-tetrazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(24),3,5,7,9,11,13,15,18,20,22-undecaene (PubChem CID 147010243) has the molecular formula C40H24N4 and a molecular weight of 560.66 g/mol. Its IUPAC name is 12-(6-naphthalen-2-ylnaphthalen-2-yl)-2,9,17,24-tetrazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(24),3,5,7,9,11,13,15,18,20,22-undecaene.

Molecular Properties

Compound Name12-(6-naphthalen-2-ylnaphthalen-2-yl)-2,9,17,24-tetrazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(24),3,5,7,9,11,13,15,18,20,22-undecaene
PubChem CID147010243
Molecular FormulaC40H24N4
Molecular Weight560.66 g/mol
Exact Mass560.20
IUPAC Name12-(6-naphthalen-2-ylnaphthalen-2-yl)-2,9,17,24-tetrazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(24),3,5,7,9,11,13,15,18,20,22-undecaene
SMILESc1ccc2cc(-c3ccc4cc(-c5cccc6c5c5nc7ccccc7n5c5nc7ccccc7n65)ccc4c3)ccc2c1
InChIInChI=1S/C40H24N4/c1-2-9-26-22-27(17-16-25(26)8-1)28-18-19-30-24-31(21-20-29(30)23-28)32-10-7-15-37-38(32)39-41-33-11-3-6-14-36(33)44(39)40-42-34-12-4-5-13-35(34)43(37)40/h1-24H
InChIKeyATSPFIDXYIODFX-UHFFFAOYSA-N
XLogP10.08
TPSA34.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.66
LogP ≤ 510.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 12-(6-naphthalen-2-ylnaphthalen-2-yl)-2,9,17,24-tetrazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(24),3,5,7,9,11,13,15,18,20,22-undecaene with MolForge

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Related Compounds

10-[6-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene
CID 58037984
20-(3-triphenylen-2-ylphenyl)-2,9,17,25-tetrazahexacyclo[15.8.0.02,10.03,8.011,16.019,24]pentacosa-1(25),3,5,7,9,11,13,15,19,21,23-undecaen-18-one
CID 165126182
11-[4-[4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene
CID 122533781
5-(7-diphenylphosphorylnaphthalen-2-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;9-(7-diphenylphosphorylnaphthalen-2-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;10-(7-diphenylphosphorylnaphthalen-2-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene
CID 158765388
14-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene
CID 89391817
6-[4-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]indolo[1,2-a]quinoxaline
CID 145180375
6-(2,7-dinaphthalen-2-ylcarbazol-9-yl)benzimidazolo[1,2-c]quinazoline
CID 134509045
18-naphthalen-2-yl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene
CID 58038042
10-naphthalen-1-yl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene
CID 58038272
4-(6-dinaphthalen-2-ylphosphorylnaphthalen-2-yl)-2,9-diazaheptacyclo[19.8.0.02,10.03,8.011,20.012,17.023,28]nonacosa-1(29),3,5,7,9,11(20),12,14,16,18,21,23,25,27-tetradecaene
CID 163934071
5-pyren-1-yl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene
CID 58038275
6-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzimidazolo[1,2-c]quinazoline
CID 58894937

Frequently Asked Questions

What is the IUPAC name of 12-(6-naphthalen-2-ylnaphthalen-2-yl)-2,9,17,24-tetrazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(24),3,5,7,9,11,13,15,18,20,22-undecaene?
The IUPAC name of 12-(6-naphthalen-2-ylnaphthalen-2-yl)-2,9,17,24-tetrazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(24),3,5,7,9,11,13,15,18,20,22-undecaene (CID 147010243) is 12-(6-naphthalen-2-ylnaphthalen-2-yl)-2,9,17,24-tetrazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(24),3,5,7,9,11,13,15,18,20,22-undecaene.
What is the SMILES notation for 12-(6-naphthalen-2-ylnaphthalen-2-yl)-2,9,17,24-tetrazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(24),3,5,7,9,11,13,15,18,20,22-undecaene?
The canonical SMILES for 12-(6-naphthalen-2-ylnaphthalen-2-yl)-2,9,17,24-tetrazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(24),3,5,7,9,11,13,15,18,20,22-undecaene is c1ccc2cc(-c3ccc4cc(-c5cccc6c5c5nc7ccccc7n5c5nc7ccccc7n65)ccc4c3)ccc2c1.
What is the InChIKey of 12-(6-naphthalen-2-ylnaphthalen-2-yl)-2,9,17,24-tetrazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(24),3,5,7,9,11,13,15,18,20,22-undecaene?
The InChIKey is ATSPFIDXYIODFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N4/c1-2-9-26-22-27(17-16-25(26)8-1)28-18-19-30-24-31(21-20-29(30)23-28)32-10-7-15-37-38(32)39-41-33-11-3-6-14-36(33)44(39)40-42-34-12-4-5-13-35(34)43(37)40/h1-24H.
What are the key properties of 12-(6-naphthalen-2-ylnaphthalen-2-yl)-2,9,17,24-tetrazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(24),3,5,7,9,11,13,15,18,20,22-undecaene?
12-(6-naphthalen-2-ylnaphthalen-2-yl)-2,9,17,24-tetrazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(24),3,5,7,9,11,13,15,18,20,22-undecaene has a molecular weight of 560.66 g/mol, XLogP of 10.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(6-naphthalen-2-ylnaphthalen-2-yl)-2,9,17,24-tetrazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(24),3,5,7,9,11,13,15,18,20,22-undecaene is sourced from PubChem (CID 147010243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).