1-[2'-[(dimethylamino)methyl]spiro[10H-anthracene-9,9'-fluorene]-2-yl]-N,N-dimethylmethanamine;1-[7'-[(dimethylamino)methyl]spiro[9H-anthracene-10,9'-fluorene]-2'-yl]-N,N-dimethylmethanamine;methane

C68H80N4 — CID 160791086

IUPAC1-[2'-[(dimethylamino)methyl]spiro[10H-anthracene-9,9'-fluorene]-2-yl]-N,N-dimethylmethanamine;1-[7'-[(dimethylamino)methyl]spiro[9H-anthracene-10,9'-fluorene]-2'-yl]-N,N-dimethylmethanamine;methane
SMILESC.C.C.C.CN(C)Cc1ccc2c(c1)C1(c3ccccc3C2)c2ccccc2-c2ccc(CN(C)C)cc21.CN(C)Cc1ccc2c(c1)C1(c3ccccc3Cc3ccccc31)c1cc(CN(C)C)ccc1-2
InChIInChI=1S/2C32H32N2.4CH4/c1-33(2)20-22-13-15-25-19-24-9-5-7-11-28(24)32(30(25)17-22)29-12-8-6-10-26(29)27-16-14-23(18-31(27)32)21-34(3)4;1-33(2)20-22-13-15-26-27-16-14-23(21-34(3)4)18-31(27)32(30(26)17-22)28-11-7-5-9-24(28)19-25-10-6-8-12-29(25)32;;;;/h2*5-18H,19-21H2,1-4H3;4*1H4
InChIKeySBVGPBDEQQZDHJ-UHFFFAOYSA-N
MW953.42 g/mol
LogP14.70
Rot. Bonds8

About 1-[2'-[(dimethylamino)methyl]spiro[10H-anthracene-9,9'-fluorene]-2-yl]-N,N-dimethylmethanamine;1-[7'-[(dimethylamino)methyl]spiro[9H-anthracene-10,9'-fluorene]-2'-yl]-N,N-dimethylmethanamine;methane

1-[2'-[(dimethylamino)methyl]spiro[10H-anthracene-9,9'-fluorene]-2-yl]-N,N-dimethylmethanamine;1-[7'-[(dimethylamino)methyl]spiro[9H-anthracene-10,9'-fluorene]-2'-yl]-N,N-dimethylmethanamine;methane (PubChem CID 160791086) has the molecular formula C68H80N4 and a molecular weight of 953.42 g/mol. Its IUPAC name is 1-[2'-[(dimethylamino)methyl]spiro[10H-anthracene-9,9'-fluorene]-2-yl]-N,N-dimethylmethanamine;1-[7'-[(dimethylamino)methyl]spiro[9H-anthracene-10,9'-fluorene]-2'-yl]-N,N-dimethylmethanamine;methane.

Molecular Properties

Compound Name1-[2'-[(dimethylamino)methyl]spiro[10H-anthracene-9,9'-fluorene]-2-yl]-N,N-dimethylmethanamine;1-[7'-[(dimethylamino)methyl]spiro[9H-anthracene-10,9'-fluorene]-2'-yl]-N,N-dimethylmethanamine;methane
PubChem CID160791086
Molecular FormulaC68H80N4
Molecular Weight953.42 g/mol
Exact Mass952.64
IUPAC Name1-[2'-[(dimethylamino)methyl]spiro[10H-anthracene-9,9'-fluorene]-2-yl]-N,N-dimethylmethanamine;1-[7'-[(dimethylamino)methyl]spiro[9H-anthracene-10,9'-fluorene]-2'-yl]-N,N-dimethylmethanamine;methane
SMILESC.C.C.C.CN(C)Cc1ccc2c(c1)C1(c3ccccc3C2)c2ccccc2-c2ccc(CN(C)C)cc21.CN(C)Cc1ccc2c(c1)C1(c3ccccc3Cc3ccccc31)c1cc(CN(C)C)ccc1-2
InChIInChI=1S/2C32H32N2.4CH4/c1-33(2)20-22-13-15-25-19-24-9-5-7-11-28(24)32(30(25)17-22)29-12-8-6-10-26(29)27-16-14-23(18-31(27)32)21-34(3)4;1-33(2)20-22-13-15-26-27-16-14-23(21-34(3)4)18-31(27)32(30(26)17-22)28-11-7-5-9-24(28)19-25-10-6-8-12-29(25)32;;;;/h2*5-18H,19-21H2,1-4H3;4*1H4
InChIKeySBVGPBDEQQZDHJ-UHFFFAOYSA-N
XLogP14.70
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500953.42
LogP ≤ 514.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2'-[(dimethylamino)methyl]spiro[10H-anthracene-9,9'-fluorene]-2-yl]-N,N-dimethylmethanamine;1-[7'-[(dimethylamino)methyl]spiro[9H-anthracene-10,9'-fluorene]-2'-yl]-N,N-dimethylmethanamine;methane with MolForge

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Related Compounds

1-(9H-fluoren-3-yl)-N,N-dimethylmethanamine
CID 147952103
N,N-dimethyl-1-spiro[9H-anthracene-10,9'-fluorene]-3'-ylmethanamine;N,N-dimethyl-1-spiro[9H-anthracene-10,9'-fluorene]-4'-ylmethanamine;1-(9,9-diphenyl-10H-anthracen-2-yl)-N,N-dimethylmethanamine;1-(10,10-diphenyl-9H-anthracen-1-yl)-N,N-dimethylmethanamine;1-(10,10-diphenyl-9H-anthracen-2-yl)-N,N-dimethylmethanamine
CID 158995010
ethane;spiro[9H-anthracene-10,9'-fluorene]
CID 90717340
N-[[2,7'-bis(diethylaminomethyl)-9,9'-spirobi[fluorene]-2'-yl]methyl]-N-ethylethanamine
CID 122543015
3-tert-butylspiro[9H-anthracene-10,9'-fluorene]
CID 175918743
ethane;methane;10,10'-spirobi[9H-anthracene]
CID 157229277
butane;ethanamine;ethane;bis(spiro[9H-anthracene-10,9'-fluorene])
CID 165034994
N-propan-2-yl-N-(9,9'-spirobi[fluorene]-2-ylmethyl)aniline
CID 167208801
9,9-diphenylfluorene;N-[(9,9-diphenylfluoren-2-yl)methyl]-N-ethylethanamine;ethane
CID 157306926
N,N-dimethylethanamine;9,9'-spirobi[fluorene]
CID 165010246
2'-ethyl-9,9-dimethylspiro[anthracene-10,9'-fluorene]
CID 142481262
N,N-bis(2-phenylphenyl)spiro[9H-anthracene-10,9'-fluorene]-2'-amine
CID 141476561

Frequently Asked Questions

What is the IUPAC name of 1-[2'-[(dimethylamino)methyl]spiro[10H-anthracene-9,9'-fluorene]-2-yl]-N,N-dimethylmethanamine;1-[7'-[(dimethylamino)methyl]spiro[9H-anthracene-10,9'-fluorene]-2'-yl]-N,N-dimethylmethanamine;methane?
The IUPAC name of 1-[2'-[(dimethylamino)methyl]spiro[10H-anthracene-9,9'-fluorene]-2-yl]-N,N-dimethylmethanamine;1-[7'-[(dimethylamino)methyl]spiro[9H-anthracene-10,9'-fluorene]-2'-yl]-N,N-dimethylmethanamine;methane (CID 160791086) is 1-[2'-[(dimethylamino)methyl]spiro[10H-anthracene-9,9'-fluorene]-2-yl]-N,N-dimethylmethanamine;1-[7'-[(dimethylamino)methyl]spiro[9H-anthracene-10,9'-fluorene]-2'-yl]-N,N-dimethylmethanamine;methane.
What is the SMILES notation for 1-[2'-[(dimethylamino)methyl]spiro[10H-anthracene-9,9'-fluorene]-2-yl]-N,N-dimethylmethanamine;1-[7'-[(dimethylamino)methyl]spiro[9H-anthracene-10,9'-fluorene]-2'-yl]-N,N-dimethylmethanamine;methane?
The canonical SMILES for 1-[2'-[(dimethylamino)methyl]spiro[10H-anthracene-9,9'-fluorene]-2-yl]-N,N-dimethylmethanamine;1-[7'-[(dimethylamino)methyl]spiro[9H-anthracene-10,9'-fluorene]-2'-yl]-N,N-dimethylmethanamine;methane is C.C.C.C.CN(C)Cc1ccc2c(c1)C1(c3ccccc3C2)c2ccccc2-c2ccc(CN(C)C)cc21.CN(C)Cc1ccc2c(c1)C1(c3ccccc3Cc3ccccc31)c1cc(CN(C)C)ccc1-2.
What is the InChIKey of 1-[2'-[(dimethylamino)methyl]spiro[10H-anthracene-9,9'-fluorene]-2-yl]-N,N-dimethylmethanamine;1-[7'-[(dimethylamino)methyl]spiro[9H-anthracene-10,9'-fluorene]-2'-yl]-N,N-dimethylmethanamine;methane?
The InChIKey is SBVGPBDEQQZDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C32H32N2.4CH4/c1-33(2)20-22-13-15-25-19-24-9-5-7-11-28(24)32(30(25)17-22)29-12-8-6-10-26(29)27-16-14-23(18-31(27)32)21-34(3)4;1-33(2)20-22-13-15-26-27-16-14-23(21-34(3)4)18-31(27)32(30(26)17-22)28-11-7-5-9-24(28)19-25-10-6-8-12-29(25)32;;;;/h2*5-18H,19-21H2,1-4H3;4*1H4.
What are the key properties of 1-[2'-[(dimethylamino)methyl]spiro[10H-anthracene-9,9'-fluorene]-2-yl]-N,N-dimethylmethanamine;1-[7'-[(dimethylamino)methyl]spiro[9H-anthracene-10,9'-fluorene]-2'-yl]-N,N-dimethylmethanamine;methane?
1-[2'-[(dimethylamino)methyl]spiro[10H-anthracene-9,9'-fluorene]-2-yl]-N,N-dimethylmethanamine;1-[7'-[(dimethylamino)methyl]spiro[9H-anthracene-10,9'-fluorene]-2'-yl]-N,N-dimethylmethanamine;methane has a molecular weight of 953.42 g/mol, XLogP of 14.70, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2'-[(dimethylamino)methyl]spiro[10H-anthracene-9,9'-fluorene]-2-yl]-N,N-dimethylmethanamine;1-[7'-[(dimethylamino)methyl]spiro[9H-anthracene-10,9'-fluorene]-2'-yl]-N,N-dimethylmethanamine;methane is sourced from PubChem (CID 160791086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).