9,9-dimethyl-7-naphthalen-1-ylfluoren-2-amine

C25H21N — CID 121321735

IUPAC9,9-dimethyl-7-naphthalen-1-ylfluoren-2-amine
SMILESCC1(C)c2cc(N)ccc2-c2ccc(-c3cccc4ccccc34)cc21
InChIInChI=1S/C25H21N/c1-25(2)23-14-17(20-9-5-7-16-6-3-4-8-19(16)20)10-12-21(23)22-13-11-18(26)15-24(22)25/h3-15H,26H2,1-2H3
InChIKeyFXRFTAHLUVYVPL-UHFFFAOYSA-N
MW335.45 g/mol
LogP6.40
Rot. Bonds1

About 9,9-dimethyl-7-naphthalen-1-ylfluoren-2-amine

9,9-dimethyl-7-naphthalen-1-ylfluoren-2-amine (PubChem CID 121321735) has the molecular formula C25H21N and a molecular weight of 335.45 g/mol. Its IUPAC name is 9,9-dimethyl-7-naphthalen-1-ylfluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-7-naphthalen-1-ylfluoren-2-amine
PubChem CID121321735
Molecular FormulaC25H21N
Molecular Weight335.45 g/mol
Exact Mass335.17
IUPAC Name9,9-dimethyl-7-naphthalen-1-ylfluoren-2-amine
SMILESCC1(C)c2cc(N)ccc2-c2ccc(-c3cccc4ccccc34)cc21
InChIInChI=1S/C25H21N/c1-25(2)23-14-17(20-9-5-7-16-6-3-4-8-19(16)20)10-12-21(23)22-13-11-18(26)15-24(22)25/h3-15H,26H2,1-2H3
InChIKeyFXRFTAHLUVYVPL-UHFFFAOYSA-N
XLogP6.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.45
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

9,9-dimethyl-2-(3-naphthalen-1-ylphenyl)-7-[4-[4-[4-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]fluorene
CID 58881002
2-[9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)fluoren-2-yl]-9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluorene
CID 123969680
2,7-bis[9,9-dimethyl-7-[3-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluorene
CID 58881057
9,9-dimethyl-2-naphthalen-2-yl-7-(3-naphthalen-1-ylphenyl)fluorene
CID 59217063
9,9,10,10-tetramethyl-2,6-dinaphthalen-1-ylanthracene
CID 59649099
6,6,12,12-tetramethyl-2-[6-(4-naphthalen-1-ylphenyl)pyren-1-yl]indeno[1,2-b]fluorene
CID 59390161
2-(9,9-dimethylfluoren-2-yl)-7-[7-[9,9-dimethyl-7-(2-naphthalen-1-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 58881021
3-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]fluoranthene
CID 58569433
6-[5-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)naphthalen-1-yl]chrysene
CID 58569105
9-[3-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]phenanthrene
CID 58569211
tris(1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)pyrene);tris(1-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)pyrene)
CID 159354982
2-[9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethyl-7-[4-(4-naphthalen-2-ylphenyl)phenyl]fluorene
CID 123907813

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-7-naphthalen-1-ylfluoren-2-amine?
The IUPAC name of 9,9-dimethyl-7-naphthalen-1-ylfluoren-2-amine (CID 121321735) is 9,9-dimethyl-7-naphthalen-1-ylfluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-7-naphthalen-1-ylfluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-7-naphthalen-1-ylfluoren-2-amine is CC1(C)c2cc(N)ccc2-c2ccc(-c3cccc4ccccc34)cc21.
What is the InChIKey of 9,9-dimethyl-7-naphthalen-1-ylfluoren-2-amine?
The InChIKey is FXRFTAHLUVYVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N/c1-25(2)23-14-17(20-9-5-7-16-6-3-4-8-19(16)20)10-12-21(23)22-13-11-18(26)15-24(22)25/h3-15H,26H2,1-2H3.
What are the key properties of 9,9-dimethyl-7-naphthalen-1-ylfluoren-2-amine?
9,9-dimethyl-7-naphthalen-1-ylfluoren-2-amine has a molecular weight of 335.45 g/mol, XLogP of 6.40, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-7-naphthalen-1-ylfluoren-2-amine is sourced from PubChem (CID 121321735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).