(1R,2R)-1,2-diphenyl-N,N'-bis[[1-(2-phenylnaphthalen-1-yl)naphthalen-2-yl]methyl]ethane-1,2-diamine

C68H52N2 — CID 56590043

IUPAC(1R,2R)-1,2-diphenyl-N,N'-bis[[1-(2-phenylnaphthalen-1-yl)naphthalen-2-yl]methyl]ethane-1,2-diamine
SMILESc1ccc(-c2ccc3ccccc3c2-c2c(CN[C@H](c3ccccc3)[C@H](NCc3ccc4ccccc4c3-c3c(-c4ccccc4)ccc4ccccc34)c3ccccc3)ccc3ccccc23)cc1
InChIInChI=1S/C68H52N2/c1-5-21-47(22-6-1)61-43-41-51-27-15-19-35-59(51)65(61)63-55(39-37-49-25-13-17-33-57(49)63)45-69-67(53-29-9-3-10-30-53)68(54-31-11-4-12-32-54)70-46-56-40-38-50-26-14-18-34-58(50)64(56)66-60-36-20-16-28-52(60)42-44-62(66)48-23-7-2-8-24-48/h1-44,67-70H,45-46H2/t67-,68-/m1/s1
InChIKeyGNEXHSPDLROGLE-OQFFVEAFSA-N
MW897.18 g/mol
LogP17.33
Rot. Bonds13

About (1R,2R)-1,2-diphenyl-N,N'-bis[[1-(2-phenylnaphthalen-1-yl)naphthalen-2-yl]methyl]ethane-1,2-diamine

(1R,2R)-1,2-diphenyl-N,N'-bis[[1-(2-phenylnaphthalen-1-yl)naphthalen-2-yl]methyl]ethane-1,2-diamine (PubChem CID 56590043) has the molecular formula C68H52N2 and a molecular weight of 897.18 g/mol. Its IUPAC name is (1R,2R)-1,2-diphenyl-N,N'-bis[[1-(2-phenylnaphthalen-1-yl)naphthalen-2-yl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound Name(1R,2R)-1,2-diphenyl-N,N'-bis[[1-(2-phenylnaphthalen-1-yl)naphthalen-2-yl]methyl]ethane-1,2-diamine
PubChem CID56590043
Molecular FormulaC68H52N2
Molecular Weight897.18 g/mol
Exact Mass896.41
IUPAC Name(1R,2R)-1,2-diphenyl-N,N'-bis[[1-(2-phenylnaphthalen-1-yl)naphthalen-2-yl]methyl]ethane-1,2-diamine
SMILESc1ccc(-c2ccc3ccccc3c2-c2c(CN[C@H](c3ccccc3)[C@H](NCc3ccc4ccccc4c3-c3c(-c4ccccc4)ccc4ccccc34)c3ccccc3)ccc3ccccc23)cc1
InChIInChI=1S/C68H52N2/c1-5-21-47(22-6-1)61-43-41-51-27-15-19-35-59(51)65(61)63-55(39-37-49-25-13-17-33-57(49)63)45-69-67(53-29-9-3-10-30-53)68(54-31-11-4-12-32-54)70-46-56-40-38-50-26-14-18-34-58(50)64(56)66-60-36-20-16-28-52(60)42-44-62(66)48-23-7-2-8-24-48/h1-44,67-70H,45-46H2/t67-,68-/m1/s1
InChIKeyGNEXHSPDLROGLE-OQFFVEAFSA-N
XLogP17.33
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500897.18
LogP ≤ 517.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1,2-diphenyl-N,N'-bis[[1-(2-phenylnaphthalen-1-yl)naphthalen-2-yl]methyl]ethane-1,2-diamine?
The IUPAC name of (1R,2R)-1,2-diphenyl-N,N'-bis[[1-(2-phenylnaphthalen-1-yl)naphthalen-2-yl]methyl]ethane-1,2-diamine (CID 56590043) is (1R,2R)-1,2-diphenyl-N,N'-bis[[1-(2-phenylnaphthalen-1-yl)naphthalen-2-yl]methyl]ethane-1,2-diamine.
What is the SMILES notation for (1R,2R)-1,2-diphenyl-N,N'-bis[[1-(2-phenylnaphthalen-1-yl)naphthalen-2-yl]methyl]ethane-1,2-diamine?
The canonical SMILES for (1R,2R)-1,2-diphenyl-N,N'-bis[[1-(2-phenylnaphthalen-1-yl)naphthalen-2-yl]methyl]ethane-1,2-diamine is c1ccc(-c2ccc3ccccc3c2-c2c(CN[C@H](c3ccccc3)[C@H](NCc3ccc4ccccc4c3-c3c(-c4ccccc4)ccc4ccccc34)c3ccccc3)ccc3ccccc23)cc1.
What is the InChIKey of (1R,2R)-1,2-diphenyl-N,N'-bis[[1-(2-phenylnaphthalen-1-yl)naphthalen-2-yl]methyl]ethane-1,2-diamine?
The InChIKey is GNEXHSPDLROGLE-OQFFVEAFSA-N. The full InChI is InChI=1S/C68H52N2/c1-5-21-47(22-6-1)61-43-41-51-27-15-19-35-59(51)65(61)63-55(39-37-49-25-13-17-33-57(49)63)45-69-67(53-29-9-3-10-30-53)68(54-31-11-4-12-32-54)70-46-56-40-38-50-26-14-18-34-58(50)64(56)66-60-36-20-16-28-52(60)42-44-62(66)48-23-7-2-8-24-48/h1-44,67-70H,45-46H2/t67-,68-/m1/s1.
What are the key properties of (1R,2R)-1,2-diphenyl-N,N'-bis[[1-(2-phenylnaphthalen-1-yl)naphthalen-2-yl]methyl]ethane-1,2-diamine?
(1R,2R)-1,2-diphenyl-N,N'-bis[[1-(2-phenylnaphthalen-1-yl)naphthalen-2-yl]methyl]ethane-1,2-diamine has a molecular weight of 897.18 g/mol, XLogP of 17.33, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1,2-diphenyl-N,N'-bis[[1-(2-phenylnaphthalen-1-yl)naphthalen-2-yl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 56590043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).