7,14,24,31,41,48-hexanaphthalen-2-yl-2,17,19,34,36,51-hexazatridecacyclo[34.15.0.02,18.03,16.06,15.08,13.019,35.020,33.023,32.025,30.037,50.040,49.042,47]henpentaconta-1(51),3(16),4,6,8,10,12,14,17,20(33),21,23,25,27,29,31,34,37(50),38,40,42,44,46,48-tetracosaene

C105H60N6 — CID 59837016

IUPAC7,14,24,31,41,48-hexanaphthalen-2-yl-2,17,19,34,36,51-hexazatridecacyclo[34.15.0.02,18.03,16.06,15.08,13.019,35.020,33.023,32.025,30.037,50.040,49.042,47]henpentaconta-1(51),3(16),4,6,8,10,12,14,17,20(33),21,23,25,27,29,31,34,37(50),38,40,42,44,46,48-tetracosaene
SMILESc1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4c3ccc3c4nc4n3c3nc5c6c(-c7ccc8ccccc8c7)c7ccccc7c(-c7ccc8ccccc8c7)c6ccc5n3c3nc5c6c(-c7ccc8ccccc8c7)c7ccccc7c(-c7ccc8ccccc8c7)c6ccc5n43)ccc2c1
InChIInChI=1S/C105H60N6/c1-7-25-67-55-73(43-37-61(67)19-1)91-79-31-13-16-34-82(79)94(76-46-40-64-22-4-10-28-70(64)58-76)97-85(91)49-52-88-100(97)106-103-109(88)104-107-102-90(54-51-87-93(75-45-39-63-21-3-9-27-69(63)57-75)81-33-15-18-36-84(81)96(99(87)102)78-48-42-66-24-6-12-30-72(66)60-78)111(104)105-108-101-89(110(103)105)53-50-86-92(74-44-38-62-20-2-8-26-68(62)56-74)80-32-14-17-35-83(80)95(98(86)101)77-47-41-65-23-5-11-29-71(65)59-77/h1-60H
InChIKeyXNVRYAPQLGVPBG-UHFFFAOYSA-N
MW1405.68 g/mol
LogP27.93
Rot. Bonds6

About 7,14,24,31,41,48-hexanaphthalen-2-yl-2,17,19,34,36,51-hexazatridecacyclo[34.15.0.02,18.03,16.06,15.08,13.019,35.020,33.023,32.025,30.037,50.040,49.042,47]henpentaconta-1(51),3(16),4,6,8,10,12,14,17,20(33),21,23,25,27,29,31,34,37(50),38,40,42,44,46,48-tetracosaene

7,14,24,31,41,48-hexanaphthalen-2-yl-2,17,19,34,36,51-hexazatridecacyclo[34.15.0.02,18.03,16.06,15.08,13.019,35.020,33.023,32.025,30.037,50.040,49.042,47]henpentaconta-1(51),3(16),4,6,8,10,12,14,17,20(33),21,23,25,27,29,31,34,37(50),38,40,42,44,46,48-tetracosaene (PubChem CID 59837016) has the molecular formula C105H60N6 and a molecular weight of 1405.68 g/mol. Its IUPAC name is 7,14,24,31,41,48-hexanaphthalen-2-yl-2,17,19,34,36,51-hexazatridecacyclo[34.15.0.02,18.03,16.06,15.08,13.019,35.020,33.023,32.025,30.037,50.040,49.042,47]henpentaconta-1(51),3(16),4,6,8,10,12,14,17,20(33),21,23,25,27,29,31,34,37(50),38,40,42,44,46,48-tetracosaene.

Molecular Properties

Compound Name7,14,24,31,41,48-hexanaphthalen-2-yl-2,17,19,34,36,51-hexazatridecacyclo[34.15.0.02,18.03,16.06,15.08,13.019,35.020,33.023,32.025,30.037,50.040,49.042,47]henpentaconta-1(51),3(16),4,6,8,10,12,14,17,20(33),21,23,25,27,29,31,34,37(50),38,40,42,44,46,48-tetracosaene
PubChem CID59837016
Molecular FormulaC105H60N6
Molecular Weight1405.68 g/mol
Exact Mass1404.49
IUPAC Name7,14,24,31,41,48-hexanaphthalen-2-yl-2,17,19,34,36,51-hexazatridecacyclo[34.15.0.02,18.03,16.06,15.08,13.019,35.020,33.023,32.025,30.037,50.040,49.042,47]henpentaconta-1(51),3(16),4,6,8,10,12,14,17,20(33),21,23,25,27,29,31,34,37(50),38,40,42,44,46,48-tetracosaene
SMILESc1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4c3ccc3c4nc4n3c3nc5c6c(-c7ccc8ccccc8c7)c7ccccc7c(-c7ccc8ccccc8c7)c6ccc5n3c3nc5c6c(-c7ccc8ccccc8c7)c7ccccc7c(-c7ccc8ccccc8c7)c6ccc5n43)ccc2c1
InChIInChI=1S/C105H60N6/c1-7-25-67-55-73(43-37-61(67)19-1)91-79-31-13-16-34-82(79)94(76-46-40-64-22-4-10-28-70(64)58-76)97-85(91)49-52-88-100(97)106-103-109(88)104-107-102-90(54-51-87-93(75-45-39-63-21-3-9-27-69(63)57-75)81-33-15-18-36-84(81)96(99(87)102)78-48-42-66-24-6-12-30-72(66)60-78)111(104)105-108-101-89(110(103)105)53-50-86-92(74-44-38-62-20-2-8-26-68(62)56-74)80-32-14-17-35-83(80)95(98(86)101)77-47-41-65-23-5-11-29-71(65)59-77/h1-60H
InChIKeyXNVRYAPQLGVPBG-UHFFFAOYSA-N
XLogP27.93
TPSA51.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms111
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001405.68
LogP ≤ 527.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 7,14,24,31,41,48-hexanaphthalen-2-yl-2,17,19,34,36,51-hexazatridecacyclo[34.15.0.02,18.03,16.06,15.08,13.019,35.020,33.023,32.025,30.037,50.040,49.042,47]henpentaconta-1(51),3(16),4,6,8,10,12,14,17,20(33),21,23,25,27,29,31,34,37(50),38,40,42,44,46,48-tetracosaene with MolForge

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Related Compounds

7-naphthalen-2-yl-12-(4-naphthalen-2-ylphenyl)benzo[a]anthracene
CID 58535897
9-naphthalen-2-yl-10-[7-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 153438358
9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene
CID 59136606
7-naphthalen-2-yl-12-[4-(3-naphthalen-2-ylphenyl)phenyl]benzo[a]anthracene
CID 58535903
9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 21022512
9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 58876197
2,6-dideuterio-9,10-dinaphthalen-2-ylanthracene
CID 140869774
2-(2,10-dinaphthalen-2-ylanthracen-9-yl)triphenylene
CID 58322673
7-(9,10-diphenylphenanthren-3-yl)-12-naphthalen-2-ylbenzo[a]anthracene
CID 59629514
4-(10-naphthalen-2-ylanthracen-9-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 134252656
2-N,2-N,6-N,6-N,9,10-hexanaphthalen-2-ylanthracene-2,6-diamine
CID 58927073
9-(4-naphthalen-2-ylphenyl)-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene
CID 123965396

Frequently Asked Questions

What is the IUPAC name of 7,14,24,31,41,48-hexanaphthalen-2-yl-2,17,19,34,36,51-hexazatridecacyclo[34.15.0.02,18.03,16.06,15.08,13.019,35.020,33.023,32.025,30.037,50.040,49.042,47]henpentaconta-1(51),3(16),4,6,8,10,12,14,17,20(33),21,23,25,27,29,31,34,37(50),38,40,42,44,46,48-tetracosaene?
The IUPAC name of 7,14,24,31,41,48-hexanaphthalen-2-yl-2,17,19,34,36,51-hexazatridecacyclo[34.15.0.02,18.03,16.06,15.08,13.019,35.020,33.023,32.025,30.037,50.040,49.042,47]henpentaconta-1(51),3(16),4,6,8,10,12,14,17,20(33),21,23,25,27,29,31,34,37(50),38,40,42,44,46,48-tetracosaene (CID 59837016) is 7,14,24,31,41,48-hexanaphthalen-2-yl-2,17,19,34,36,51-hexazatridecacyclo[34.15.0.02,18.03,16.06,15.08,13.019,35.020,33.023,32.025,30.037,50.040,49.042,47]henpentaconta-1(51),3(16),4,6,8,10,12,14,17,20(33),21,23,25,27,29,31,34,37(50),38,40,42,44,46,48-tetracosaene.
What is the SMILES notation for 7,14,24,31,41,48-hexanaphthalen-2-yl-2,17,19,34,36,51-hexazatridecacyclo[34.15.0.02,18.03,16.06,15.08,13.019,35.020,33.023,32.025,30.037,50.040,49.042,47]henpentaconta-1(51),3(16),4,6,8,10,12,14,17,20(33),21,23,25,27,29,31,34,37(50),38,40,42,44,46,48-tetracosaene?
The canonical SMILES for 7,14,24,31,41,48-hexanaphthalen-2-yl-2,17,19,34,36,51-hexazatridecacyclo[34.15.0.02,18.03,16.06,15.08,13.019,35.020,33.023,32.025,30.037,50.040,49.042,47]henpentaconta-1(51),3(16),4,6,8,10,12,14,17,20(33),21,23,25,27,29,31,34,37(50),38,40,42,44,46,48-tetracosaene is c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4c3ccc3c4nc4n3c3nc5c6c(-c7ccc8ccccc8c7)c7ccccc7c(-c7ccc8ccccc8c7)c6ccc5n3c3nc5c6c(-c7ccc8ccccc8c7)c7ccccc7c(-c7ccc8ccccc8c7)c6ccc5n43)ccc2c1.
What is the InChIKey of 7,14,24,31,41,48-hexanaphthalen-2-yl-2,17,19,34,36,51-hexazatridecacyclo[34.15.0.02,18.03,16.06,15.08,13.019,35.020,33.023,32.025,30.037,50.040,49.042,47]henpentaconta-1(51),3(16),4,6,8,10,12,14,17,20(33),21,23,25,27,29,31,34,37(50),38,40,42,44,46,48-tetracosaene?
The InChIKey is XNVRYAPQLGVPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C105H60N6/c1-7-25-67-55-73(43-37-61(67)19-1)91-79-31-13-16-34-82(79)94(76-46-40-64-22-4-10-28-70(64)58-76)97-85(91)49-52-88-100(97)106-103-109(88)104-107-102-90(54-51-87-93(75-45-39-63-21-3-9-27-69(63)57-75)81-33-15-18-36-84(81)96(99(87)102)78-48-42-66-24-6-12-30-72(66)60-78)111(104)105-108-101-89(110(103)105)53-50-86-92(74-44-38-62-20-2-8-26-68(62)56-74)80-32-14-17-35-83(80)95(98(86)101)77-47-41-65-23-5-11-29-71(65)59-77/h1-60H.
What are the key properties of 7,14,24,31,41,48-hexanaphthalen-2-yl-2,17,19,34,36,51-hexazatridecacyclo[34.15.0.02,18.03,16.06,15.08,13.019,35.020,33.023,32.025,30.037,50.040,49.042,47]henpentaconta-1(51),3(16),4,6,8,10,12,14,17,20(33),21,23,25,27,29,31,34,37(50),38,40,42,44,46,48-tetracosaene?
7,14,24,31,41,48-hexanaphthalen-2-yl-2,17,19,34,36,51-hexazatridecacyclo[34.15.0.02,18.03,16.06,15.08,13.019,35.020,33.023,32.025,30.037,50.040,49.042,47]henpentaconta-1(51),3(16),4,6,8,10,12,14,17,20(33),21,23,25,27,29,31,34,37(50),38,40,42,44,46,48-tetracosaene has a molecular weight of 1405.68 g/mol, XLogP of 27.93, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,14,24,31,41,48-hexanaphthalen-2-yl-2,17,19,34,36,51-hexazatridecacyclo[34.15.0.02,18.03,16.06,15.08,13.019,35.020,33.023,32.025,30.037,50.040,49.042,47]henpentaconta-1(51),3(16),4,6,8,10,12,14,17,20(33),21,23,25,27,29,31,34,37(50),38,40,42,44,46,48-tetracosaene is sourced from PubChem (CID 59837016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).