9,9-diethyl-N-(4-methoxy-2-methylphenyl)-N-phenylfluoren-2-amine

C31H31NO — CID 139815803

IUPAC9,9-diethyl-N-(4-methoxy-2-methylphenyl)-N-phenylfluoren-2-amine
SMILESCCC1(CC)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(OC)cc3C)cc21
InChIInChI=1S/C31H31NO/c1-5-31(6-2)28-15-11-10-14-26(28)27-18-16-24(21-29(27)31)32(23-12-8-7-9-13-23)30-19-17-25(33-4)20-22(30)3/h7-21H,5-6H2,1-4H3
InChIKeyPTIKNYINHNWARS-UHFFFAOYSA-N
MW433.60 g/mol
LogP8.56
Rot. Bonds6

About 9,9-diethyl-N-(4-methoxy-2-methylphenyl)-N-phenylfluoren-2-amine

9,9-diethyl-N-(4-methoxy-2-methylphenyl)-N-phenylfluoren-2-amine (PubChem CID 139815803) has the molecular formula C31H31NO and a molecular weight of 433.60 g/mol. Its IUPAC name is 9,9-diethyl-N-(4-methoxy-2-methylphenyl)-N-phenylfluoren-2-amine.

Molecular Properties

Compound Name9,9-diethyl-N-(4-methoxy-2-methylphenyl)-N-phenylfluoren-2-amine
PubChem CID139815803
Molecular FormulaC31H31NO
Molecular Weight433.60 g/mol
Exact Mass433.24
IUPAC Name9,9-diethyl-N-(4-methoxy-2-methylphenyl)-N-phenylfluoren-2-amine
SMILESCCC1(CC)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(OC)cc3C)cc21
InChIInChI=1S/C31H31NO/c1-5-31(6-2)28-15-11-10-14-26(28)27-18-16-24(21-29(27)31)32(23-12-8-7-9-13-23)30-19-17-25(33-4)20-22(30)3/h7-21H,5-6H2,1-4H3
InChIKeyPTIKNYINHNWARS-UHFFFAOYSA-N
XLogP8.56
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.60
LogP ≤ 58.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-N,2-N,7-N-tris(9,9-diethylfluoren-2-yl)-9,9-diethyl-7-N-phenylfluorene-2,7-diamine
CID 23561815
2-N',2-N',7-N',7-N'-tetrakis(9,9-diethylfluoren-2-yl)-2-N,2-N,7-N,7-N-tetraphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 121276321
N,N-bis(3,4-dimethylphenyl)-9,9-diethylfluoren-2-amine
CID 20685715
N-(9,9-diethylfluoren-2-yl)-11,11-diethyl-N-phenylbenzo[b]fluoren-3-amine
CID 177080014
N,N-bis(4-methoxyphenyl)-9,9-dimethylfluoren-2-amine
CID 20734434
2-[3-[3,5-bis(9,9-diethylfluoren-2-yl)phenyl]-5-(7-methoxy-9,9-dimethylfluoren-2-yl)phenyl]-7-methoxy-9,9-dimethylfluorene
CID 59858796
11,11-diethyl-8-methoxybenzo[b]fluorene
CID 59844089
9-N,10-N-bis(4-methoxy-2-methylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine
CID 20665522
2-N-(9,9-dimethylfluoren-2-yl)-2-N-[4-(N-(3-methoxyphenyl)anilino)phenyl]-6-N,6-N-diphenylnaphthalene-2,6-diamine
CID 163509487
7-bromo-9,9-diethyl-N,N-diphenylfluoren-2-amine
CID 18694816
2-N,2-N',7-N,7-N'-tetrakis(9,9-dimethylfluoren-2-yl)-2-N,2-N',7-N,7-N'-tetrakis(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 134516059
N-[4-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;1-N,1-N,4-N,4-N-tetrakis(9,9-dimethylfluoren-2-yl)-2-methylbenzene-1,4-diamine
CID 158320623

Frequently Asked Questions

What is the IUPAC name of 9,9-diethyl-N-(4-methoxy-2-methylphenyl)-N-phenylfluoren-2-amine?
The IUPAC name of 9,9-diethyl-N-(4-methoxy-2-methylphenyl)-N-phenylfluoren-2-amine (CID 139815803) is 9,9-diethyl-N-(4-methoxy-2-methylphenyl)-N-phenylfluoren-2-amine.
What is the SMILES notation for 9,9-diethyl-N-(4-methoxy-2-methylphenyl)-N-phenylfluoren-2-amine?
The canonical SMILES for 9,9-diethyl-N-(4-methoxy-2-methylphenyl)-N-phenylfluoren-2-amine is CCC1(CC)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(OC)cc3C)cc21.
What is the InChIKey of 9,9-diethyl-N-(4-methoxy-2-methylphenyl)-N-phenylfluoren-2-amine?
The InChIKey is PTIKNYINHNWARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31NO/c1-5-31(6-2)28-15-11-10-14-26(28)27-18-16-24(21-29(27)31)32(23-12-8-7-9-13-23)30-19-17-25(33-4)20-22(30)3/h7-21H,5-6H2,1-4H3.
What are the key properties of 9,9-diethyl-N-(4-methoxy-2-methylphenyl)-N-phenylfluoren-2-amine?
9,9-diethyl-N-(4-methoxy-2-methylphenyl)-N-phenylfluoren-2-amine has a molecular weight of 433.60 g/mol, XLogP of 8.56, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-diethyl-N-(4-methoxy-2-methylphenyl)-N-phenylfluoren-2-amine is sourced from PubChem (CID 139815803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).