N,N-dimethyl-9,9'-spirobi[fluorene]-4-amine;N-ethyl-N-methyl-9,9'-spirobi[fluorene]-4-amine;fluoranthene

C87H64N2 — CID 160527597

IUPACN,N-dimethyl-9,9'-spirobi[fluorene]-4-amine;N-ethyl-N-methyl-9,9'-spirobi[fluorene]-4-amine;fluoranthene
SMILESCCN(C)c1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21.CN(C)c1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21.c1ccc2c(c1)-c1cccc3cccc-2c13.c1ccc2c(c1)-c1cccc3cccc-2c13
InChIInChI=1S/C28H23N.C27H21N.2C16H10/c1-3-29(2)26-18-10-17-25-27(26)21-13-6-9-16-24(21)28(25)22-14-7-4-11-19(22)20-12-5-8-15-23(20)28;1-28(2)25-17-9-16-24-26(25)20-12-5-8-15-23(20)27(24)21-13-6-3-10-18(21)19-11-4-7-14-22(19)27;2*1-2-8-13-12(7-1)14-9-3-5-11-6-4-10-15(13)16(11)14/h4-18H,3H2,1-2H3;3-17H,1-2H3;2*1-10H
InChIKeyQVCOXVIQLRRKSX-UHFFFAOYSA-N
MW1137.48 g/mol
LogP21.56
Rot. Bonds3

About N,N-dimethyl-9,9'-spirobi[fluorene]-4-amine;N-ethyl-N-methyl-9,9'-spirobi[fluorene]-4-amine;fluoranthene

N,N-dimethyl-9,9'-spirobi[fluorene]-4-amine;N-ethyl-N-methyl-9,9'-spirobi[fluorene]-4-amine;fluoranthene (PubChem CID 160527597) has the molecular formula C87H64N2 and a molecular weight of 1137.48 g/mol. Its IUPAC name is N,N-dimethyl-9,9'-spirobi[fluorene]-4-amine;N-ethyl-N-methyl-9,9'-spirobi[fluorene]-4-amine;fluoranthene.

Molecular Properties

Compound NameN,N-dimethyl-9,9'-spirobi[fluorene]-4-amine;N-ethyl-N-methyl-9,9'-spirobi[fluorene]-4-amine;fluoranthene
PubChem CID160527597
Molecular FormulaC87H64N2
Molecular Weight1137.48 g/mol
Exact Mass1136.51
IUPAC NameN,N-dimethyl-9,9'-spirobi[fluorene]-4-amine;N-ethyl-N-methyl-9,9'-spirobi[fluorene]-4-amine;fluoranthene
SMILESCCN(C)c1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21.CN(C)c1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21.c1ccc2c(c1)-c1cccc3cccc-2c13.c1ccc2c(c1)-c1cccc3cccc-2c13
InChIInChI=1S/C28H23N.C27H21N.2C16H10/c1-3-29(2)26-18-10-17-25-27(26)21-13-6-9-16-24(21)28(25)22-14-7-4-11-19(22)20-12-5-8-15-23(20)28;1-28(2)25-17-9-16-24-26(25)20-12-5-8-15-23(20)27(24)21-13-6-3-10-18(21)19-11-4-7-14-22(19)27;2*1-2-8-13-12(7-1)14-9-3-5-11-6-4-10-15(13)16(11)14/h4-18H,3H2,1-2H3;3-17H,1-2H3;2*1-10H
InChIKeyQVCOXVIQLRRKSX-UHFFFAOYSA-N
XLogP21.56
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001137.48
LogP ≤ 521.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-bis(4-tert-butylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-amine
CID 121391781
9,9-dinaphthalen-1-yl-N,N-bis(4-naphthalen-1-ylphenyl)fluoren-4-amine
CID 169019816
N-(4-methylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 121285757
CID 118153721
CID 118153721
N,N-dimethylethanamine;9,9'-spirobi[fluorene]
CID 165010246
CID 118153763
CID 118153763
1-N,1-N,3-N-triphenyl-3-N-[3-[N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzene-1,3-diamine
CID 146601554
N-phenyl-N-[4-(2-phenylnaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 139355095
N,N-bis[4-(trifluoromethyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 171749815
9,9-dimethyl-N,N-bis(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
CID 142481166
N-phenyl-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-4-amine
CID 134568070
4-N-phenanthren-2-yl-2-N',2-N',4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915518

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-9,9'-spirobi[fluorene]-4-amine;N-ethyl-N-methyl-9,9'-spirobi[fluorene]-4-amine;fluoranthene?
The IUPAC name of N,N-dimethyl-9,9'-spirobi[fluorene]-4-amine;N-ethyl-N-methyl-9,9'-spirobi[fluorene]-4-amine;fluoranthene (CID 160527597) is N,N-dimethyl-9,9'-spirobi[fluorene]-4-amine;N-ethyl-N-methyl-9,9'-spirobi[fluorene]-4-amine;fluoranthene.
What is the SMILES notation for N,N-dimethyl-9,9'-spirobi[fluorene]-4-amine;N-ethyl-N-methyl-9,9'-spirobi[fluorene]-4-amine;fluoranthene?
The canonical SMILES for N,N-dimethyl-9,9'-spirobi[fluorene]-4-amine;N-ethyl-N-methyl-9,9'-spirobi[fluorene]-4-amine;fluoranthene is CCN(C)c1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21.CN(C)c1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21.c1ccc2c(c1)-c1cccc3cccc-2c13.c1ccc2c(c1)-c1cccc3cccc-2c13.
What is the InChIKey of N,N-dimethyl-9,9'-spirobi[fluorene]-4-amine;N-ethyl-N-methyl-9,9'-spirobi[fluorene]-4-amine;fluoranthene?
The InChIKey is QVCOXVIQLRRKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N.C27H21N.2C16H10/c1-3-29(2)26-18-10-17-25-27(26)21-13-6-9-16-24(21)28(25)22-14-7-4-11-19(22)20-12-5-8-15-23(20)28;1-28(2)25-17-9-16-24-26(25)20-12-5-8-15-23(20)27(24)21-13-6-3-10-18(21)19-11-4-7-14-22(19)27;2*1-2-8-13-12(7-1)14-9-3-5-11-6-4-10-15(13)16(11)14/h4-18H,3H2,1-2H3;3-17H,1-2H3;2*1-10H.
What are the key properties of N,N-dimethyl-9,9'-spirobi[fluorene]-4-amine;N-ethyl-N-methyl-9,9'-spirobi[fluorene]-4-amine;fluoranthene?
N,N-dimethyl-9,9'-spirobi[fluorene]-4-amine;N-ethyl-N-methyl-9,9'-spirobi[fluorene]-4-amine;fluoranthene has a molecular weight of 1137.48 g/mol, XLogP of 21.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-9,9'-spirobi[fluorene]-4-amine;N-ethyl-N-methyl-9,9'-spirobi[fluorene]-4-amine;fluoranthene is sourced from PubChem (CID 160527597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).