1-N,6-N-dinaphthalen-1-yl-1-N,6-N-bis(5,6,7,8-tetrahydronaphthalen-1-yl)-2,3-dihydropyrene-1,6-diamine

C56H46N2 — CID 143848456

IUPAC1-N,6-N-dinaphthalen-1-yl-1-N,6-N-bis(5,6,7,8-tetrahydronaphthalen-1-yl)-2,3-dihydropyrene-1,6-diamine
SMILESc1cc2c(c(N(C3=c4ccc5ccc(N(c6cccc7c6CCCC7)c6cccc7ccccc67)c6ccc(c4c56)CC3)c3cccc4ccccc34)c1)CCCC2
InChIInChI=1S/C56H46N2/c1-5-21-43-37(13-1)17-9-25-49(43)57(50-26-10-18-38-14-2-6-22-44(38)50)53-35-31-41-30-34-48-54(36-32-42-29-33-47(53)55(41)56(42)48)58(51-27-11-19-39-15-3-7-23-45(39)51)52-28-12-20-40-16-4-8-24-46(40)52/h1,3,5,7,9-13,15,17-21,23,25-31,33-35H,2,4,6,8,14,16,22,24,32,36H2
InChIKeyFSFDDKWJXFBTHN-UHFFFAOYSA-N
MW747.00 g/mol
LogP14.14
Rot. Bonds6

About 1-N,6-N-dinaphthalen-1-yl-1-N,6-N-bis(5,6,7,8-tetrahydronaphthalen-1-yl)-2,3-dihydropyrene-1,6-diamine

1-N,6-N-dinaphthalen-1-yl-1-N,6-N-bis(5,6,7,8-tetrahydronaphthalen-1-yl)-2,3-dihydropyrene-1,6-diamine (PubChem CID 143848456) has the molecular formula C56H46N2 and a molecular weight of 747.00 g/mol. Its IUPAC name is 1-N,6-N-dinaphthalen-1-yl-1-N,6-N-bis(5,6,7,8-tetrahydronaphthalen-1-yl)-2,3-dihydropyrene-1,6-diamine.

Molecular Properties

Compound Name1-N,6-N-dinaphthalen-1-yl-1-N,6-N-bis(5,6,7,8-tetrahydronaphthalen-1-yl)-2,3-dihydropyrene-1,6-diamine
PubChem CID143848456
Molecular FormulaC56H46N2
Molecular Weight747.00 g/mol
Exact Mass746.37
IUPAC Name1-N,6-N-dinaphthalen-1-yl-1-N,6-N-bis(5,6,7,8-tetrahydronaphthalen-1-yl)-2,3-dihydropyrene-1,6-diamine
SMILESc1cc2c(c(N(C3=c4ccc5ccc(N(c6cccc7c6CCCC7)c6cccc7ccccc67)c6ccc(c4c56)CC3)c3cccc4ccccc34)c1)CCCC2
InChIInChI=1S/C56H46N2/c1-5-21-43-37(13-1)17-9-25-49(43)57(50-26-10-18-38-14-2-6-22-44(38)50)53-35-31-41-30-34-48-54(36-32-42-29-33-47(53)55(41)56(42)48)58(51-27-11-19-39-15-3-7-23-45(39)51)52-28-12-20-40-16-4-8-24-46(40)52/h1,3,5,7,9-13,15,17-21,23,25-31,33-35H,2,4,6,8,14,16,22,24,32,36H2
InChIKeyFSFDDKWJXFBTHN-UHFFFAOYSA-N
XLogP14.14
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.00
LogP ≤ 514.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(5,6-dihydronaphthalen-1-yl)-6-N-naphthalen-1-yl-1-N,6-N-diphenyl-2,3-dihydropyrene-1,6-diamine;ethane
CID 144777497
1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-bis(5,6,7,8-tetrahydronaphthalen-1-yl)pyrene-1,6-diamine
CID 118944405
1-N,1-N,3-N,3-N,6-N,6-N-hexanaphthalen-1-ylpyrene-1,3,6-triamine
CID 176881422
6-N-(6-cyclohexylnaphtho[2,1-b][1]benzofuran-8-yl)-1-N-(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-bis(5,6,7,8-tetrahydronaphthalen-1-yl)pyrene-1,6-diamine
CID 146579315
1-N,6-N-bis[9-(3-methylphenyl)carbazol-2-yl]-1-N,6-N-bis(5,6,7,8-tetrahydronaphthalen-1-yl)pyrene-1,6-diamine
CID 170937325
6-fluoro-N,N-dinaphthalen-1-ylpyren-1-amine
CID 176881362
pentacyclo[11.8.0.02,10.03,7.014,19]henicosa-1(13),2(10),3(7),8,11,14,16,18,20-nonaene
CID 90921064
2-N'-naphthalen-1-yl-2-N',7-N'-diphenyl-7-N'-(5,6,7,8-tetrahydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2',7'-diamine
CID 171470496
methane;1,2,3,4-tetrahydrochrysene
CID 174298676
benzene;1,2,3,4-tetrahydrochrysene
CID 174248896
palladium;1,2,3,4-tetrahydrochrysene
CID 174462913
CID 174884926
CID 174884926

Frequently Asked Questions

What is the IUPAC name of 1-N,6-N-dinaphthalen-1-yl-1-N,6-N-bis(5,6,7,8-tetrahydronaphthalen-1-yl)-2,3-dihydropyrene-1,6-diamine?
The IUPAC name of 1-N,6-N-dinaphthalen-1-yl-1-N,6-N-bis(5,6,7,8-tetrahydronaphthalen-1-yl)-2,3-dihydropyrene-1,6-diamine (CID 143848456) is 1-N,6-N-dinaphthalen-1-yl-1-N,6-N-bis(5,6,7,8-tetrahydronaphthalen-1-yl)-2,3-dihydropyrene-1,6-diamine.
What is the SMILES notation for 1-N,6-N-dinaphthalen-1-yl-1-N,6-N-bis(5,6,7,8-tetrahydronaphthalen-1-yl)-2,3-dihydropyrene-1,6-diamine?
The canonical SMILES for 1-N,6-N-dinaphthalen-1-yl-1-N,6-N-bis(5,6,7,8-tetrahydronaphthalen-1-yl)-2,3-dihydropyrene-1,6-diamine is c1cc2c(c(N(C3=c4ccc5ccc(N(c6cccc7c6CCCC7)c6cccc7ccccc67)c6ccc(c4c56)CC3)c3cccc4ccccc34)c1)CCCC2.
What is the InChIKey of 1-N,6-N-dinaphthalen-1-yl-1-N,6-N-bis(5,6,7,8-tetrahydronaphthalen-1-yl)-2,3-dihydropyrene-1,6-diamine?
The InChIKey is FSFDDKWJXFBTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H46N2/c1-5-21-43-37(13-1)17-9-25-49(43)57(50-26-10-18-38-14-2-6-22-44(38)50)53-35-31-41-30-34-48-54(36-32-42-29-33-47(53)55(41)56(42)48)58(51-27-11-19-39-15-3-7-23-45(39)51)52-28-12-20-40-16-4-8-24-46(40)52/h1,3,5,7,9-13,15,17-21,23,25-31,33-35H,2,4,6,8,14,16,22,24,32,36H2.
What are the key properties of 1-N,6-N-dinaphthalen-1-yl-1-N,6-N-bis(5,6,7,8-tetrahydronaphthalen-1-yl)-2,3-dihydropyrene-1,6-diamine?
1-N,6-N-dinaphthalen-1-yl-1-N,6-N-bis(5,6,7,8-tetrahydronaphthalen-1-yl)-2,3-dihydropyrene-1,6-diamine has a molecular weight of 747.00 g/mol, XLogP of 14.14, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,6-N-dinaphthalen-1-yl-1-N,6-N-bis(5,6,7,8-tetrahydronaphthalen-1-yl)-2,3-dihydropyrene-1,6-diamine is sourced from PubChem (CID 143848456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).