1-N,1-N,2-N,2-N-tetra(propan-2-yl)-3-[4,5,8-tris[[2,3-bis[di(propan-2-yl)amino]cycloprop-2-en-1-ylidene]amino]naphthalen-1-yl]iminocyclopropene-1,2-diamine

C70H116N12 — CID 139245655

IUPAC1-N,1-N,2-N,2-N-tetra(propan-2-yl)-3-[4,5,8-tris[[2,3-bis[di(propan-2-yl)amino]cycloprop-2-en-1-ylidene]amino]naphthalen-1-yl]iminocyclopropene-1,2-diamine
SMILESCC(C)N(c1c(N(C(C)C)C(C)C)c1=Nc1ccc(N=c2c(N(C(C)C)C(C)C)c2N(C(C)C)C(C)C)c2c(N=c3c(N(C(C)C)C(C)C)c3N(C(C)C)C(C)C)ccc(N=c3c(N(C(C)C)C(C)C)c3N(C(C)C)C(C)C)c12)C(C)C
InChIInChI=1S/C70H116N12/c1-37(2)75(38(3)4)63-59(64(63)76(39(5)6)40(7)8)71-53-33-34-55(73-61-67(79(45(17)18)46(19)20)68(61)80(47(21)22)48(23)24)58-56(74-62-69(81(49(25)26)50(27)28)70(62)82(51(29)30)52(31)32)36-35-54(57(53)58)72-60-65(77(41(9)10)42(11)12)66(60)78(43(13)14)44(15)16/h33-52H,1-32H3
InChIKeyJOYZRZKGDIFOGM-UHFFFAOYSA-N
MW1125.78 g/mol
LogP16.26
Rot. Bonds28

About 1-N,1-N,2-N,2-N-tetra(propan-2-yl)-3-[4,5,8-tris[[2,3-bis[di(propan-2-yl)amino]cycloprop-2-en-1-ylidene]amino]naphthalen-1-yl]iminocyclopropene-1,2-diamine

1-N,1-N,2-N,2-N-tetra(propan-2-yl)-3-[4,5,8-tris[[2,3-bis[di(propan-2-yl)amino]cycloprop-2-en-1-ylidene]amino]naphthalen-1-yl]iminocyclopropene-1,2-diamine (PubChem CID 139245655) has the molecular formula C70H116N12 and a molecular weight of 1125.78 g/mol. Its IUPAC name is 1-N,1-N,2-N,2-N-tetra(propan-2-yl)-3-[4,5,8-tris[[2,3-bis[di(propan-2-yl)amino]cycloprop-2-en-1-ylidene]amino]naphthalen-1-yl]iminocyclopropene-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N,2-N,2-N-tetra(propan-2-yl)-3-[4,5,8-tris[[2,3-bis[di(propan-2-yl)amino]cycloprop-2-en-1-ylidene]amino]naphthalen-1-yl]iminocyclopropene-1,2-diamine
PubChem CID139245655
Molecular FormulaC70H116N12
Molecular Weight1125.78 g/mol
Exact Mass1124.94
IUPAC Name1-N,1-N,2-N,2-N-tetra(propan-2-yl)-3-[4,5,8-tris[[2,3-bis[di(propan-2-yl)amino]cycloprop-2-en-1-ylidene]amino]naphthalen-1-yl]iminocyclopropene-1,2-diamine
SMILESCC(C)N(c1c(N(C(C)C)C(C)C)c1=Nc1ccc(N=c2c(N(C(C)C)C(C)C)c2N(C(C)C)C(C)C)c2c(N=c3c(N(C(C)C)C(C)C)c3N(C(C)C)C(C)C)ccc(N=c3c(N(C(C)C)C(C)C)c3N(C(C)C)C(C)C)c12)C(C)C
InChIInChI=1S/C70H116N12/c1-37(2)75(38(3)4)63-59(64(63)76(39(5)6)40(7)8)71-53-33-34-55(73-61-67(79(45(17)18)46(19)20)68(61)80(47(21)22)48(23)24)58-56(74-62-69(81(49(25)26)50(27)28)70(62)82(51(29)30)52(31)32)36-35-54(57(53)58)72-60-65(77(41(9)10)42(11)12)66(60)78(43(13)14)44(15)16/h33-52H,1-32H3
InChIKeyJOYZRZKGDIFOGM-UHFFFAOYSA-N
XLogP16.26
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds28
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001125.78
LogP ≤ 516.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 1-N,1-N,2-N,2-N-tetra(propan-2-yl)-3-[4,5,8-tris[[2,3-bis[di(propan-2-yl)amino]cycloprop-2-en-1-ylidene]amino]naphthalen-1-yl]iminocyclopropene-1,2-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,2-N,2-N-tetra(propan-2-yl)-3-[4,5,8-tris[[2,3-bis[di(propan-2-yl)amino]cycloprop-2-en-1-ylidene]amino]naphthalen-1-yl]iminocyclopropene-1,2-diamine?
The IUPAC name of 1-N,1-N,2-N,2-N-tetra(propan-2-yl)-3-[4,5,8-tris[[2,3-bis[di(propan-2-yl)amino]cycloprop-2-en-1-ylidene]amino]naphthalen-1-yl]iminocyclopropene-1,2-diamine (CID 139245655) is 1-N,1-N,2-N,2-N-tetra(propan-2-yl)-3-[4,5,8-tris[[2,3-bis[di(propan-2-yl)amino]cycloprop-2-en-1-ylidene]amino]naphthalen-1-yl]iminocyclopropene-1,2-diamine.
What is the SMILES notation for 1-N,1-N,2-N,2-N-tetra(propan-2-yl)-3-[4,5,8-tris[[2,3-bis[di(propan-2-yl)amino]cycloprop-2-en-1-ylidene]amino]naphthalen-1-yl]iminocyclopropene-1,2-diamine?
The canonical SMILES for 1-N,1-N,2-N,2-N-tetra(propan-2-yl)-3-[4,5,8-tris[[2,3-bis[di(propan-2-yl)amino]cycloprop-2-en-1-ylidene]amino]naphthalen-1-yl]iminocyclopropene-1,2-diamine is CC(C)N(c1c(N(C(C)C)C(C)C)c1=Nc1ccc(N=c2c(N(C(C)C)C(C)C)c2N(C(C)C)C(C)C)c2c(N=c3c(N(C(C)C)C(C)C)c3N(C(C)C)C(C)C)ccc(N=c3c(N(C(C)C)C(C)C)c3N(C(C)C)C(C)C)c12)C(C)C.
What is the InChIKey of 1-N,1-N,2-N,2-N-tetra(propan-2-yl)-3-[4,5,8-tris[[2,3-bis[di(propan-2-yl)amino]cycloprop-2-en-1-ylidene]amino]naphthalen-1-yl]iminocyclopropene-1,2-diamine?
The InChIKey is JOYZRZKGDIFOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H116N12/c1-37(2)75(38(3)4)63-59(64(63)76(39(5)6)40(7)8)71-53-33-34-55(73-61-67(79(45(17)18)46(19)20)68(61)80(47(21)22)48(23)24)58-56(74-62-69(81(49(25)26)50(27)28)70(62)82(51(29)30)52(31)32)36-35-54(57(53)58)72-60-65(77(41(9)10)42(11)12)66(60)78(43(13)14)44(15)16/h33-52H,1-32H3.
What are the key properties of 1-N,1-N,2-N,2-N-tetra(propan-2-yl)-3-[4,5,8-tris[[2,3-bis[di(propan-2-yl)amino]cycloprop-2-en-1-ylidene]amino]naphthalen-1-yl]iminocyclopropene-1,2-diamine?
1-N,1-N,2-N,2-N-tetra(propan-2-yl)-3-[4,5,8-tris[[2,3-bis[di(propan-2-yl)amino]cycloprop-2-en-1-ylidene]amino]naphthalen-1-yl]iminocyclopropene-1,2-diamine has a molecular weight of 1125.78 g/mol, XLogP of 16.26, 28 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,2-N,2-N-tetra(propan-2-yl)-3-[4,5,8-tris[[2,3-bis[di(propan-2-yl)amino]cycloprop-2-en-1-ylidene]amino]naphthalen-1-yl]iminocyclopropene-1,2-diamine is sourced from PubChem (CID 139245655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).