N-[1-[6-[4-methyl-3-(2-propylcyclohexa-1,5-dien-1-yl)phenyl]-9H-fluoren-2-yl]ethyl]-1-phenylprop-1-en-1-amine

C40H41N — CID 142614979

IUPACN-[1-[6-[4-methyl-3-(2-propylcyclohexa-1,5-dien-1-yl)phenyl]-9H-fluoren-2-yl]ethyl]-1-phenylprop-1-en-1-amine
SMILESCC=C(NC(C)c1ccc2c(c1)Cc1ccc(-c3ccc(C)c(C4=C(CCC)CCC=C4)c3)cc1-2)c1ccccc1
InChIInChI=1S/C40H41N/c1-5-12-29-13-10-11-16-36(29)38-25-32(18-17-27(38)3)33-19-20-34-24-35-23-31(21-22-37(35)39(34)26-33)28(4)41-40(6-2)30-14-8-7-9-15-30/h6-9,11,14-23,25-26,28,41H,5,10,12-13,24H2,1-4H3
InChIKeyXAFXLSRYGSUZJI-UHFFFAOYSA-N
MW535.78 g/mol
LogP10.85
Rot. Bonds8

About N-[1-[6-[4-methyl-3-(2-propylcyclohexa-1,5-dien-1-yl)phenyl]-9H-fluoren-2-yl]ethyl]-1-phenylprop-1-en-1-amine

N-[1-[6-[4-methyl-3-(2-propylcyclohexa-1,5-dien-1-yl)phenyl]-9H-fluoren-2-yl]ethyl]-1-phenylprop-1-en-1-amine (PubChem CID 142614979) has the molecular formula C40H41N and a molecular weight of 535.78 g/mol. Its IUPAC name is N-[1-[6-[4-methyl-3-(2-propylcyclohexa-1,5-dien-1-yl)phenyl]-9H-fluoren-2-yl]ethyl]-1-phenylprop-1-en-1-amine.

Molecular Properties

Compound NameN-[1-[6-[4-methyl-3-(2-propylcyclohexa-1,5-dien-1-yl)phenyl]-9H-fluoren-2-yl]ethyl]-1-phenylprop-1-en-1-amine
PubChem CID142614979
Molecular FormulaC40H41N
Molecular Weight535.78 g/mol
Exact Mass535.32
IUPAC NameN-[1-[6-[4-methyl-3-(2-propylcyclohexa-1,5-dien-1-yl)phenyl]-9H-fluoren-2-yl]ethyl]-1-phenylprop-1-en-1-amine
SMILESCC=C(NC(C)c1ccc2c(c1)Cc1ccc(-c3ccc(C)c(C4=C(CCC)CCC=C4)c3)cc1-2)c1ccccc1
InChIInChI=1S/C40H41N/c1-5-12-29-13-10-11-16-36(29)38-25-32(18-17-27(38)3)33-19-20-34-24-35-23-31(21-22-37(35)39(34)26-33)28(4)41-40(6-2)30-14-8-7-9-15-30/h6-9,11,14-23,25-26,28,41H,5,10,12-13,24H2,1-4H3
InChIKeyXAFXLSRYGSUZJI-UHFFFAOYSA-N
XLogP10.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.78
LogP ≤ 510.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1-(9H-fluoren-2-yl)ethylamino]propan-2-ol
CID 43499372
ethyl (E)-3-phenyl-3-[[(1R)-1-phenylethyl]amino]prop-2-enoate
CID 15456276
3-[3-(2-ethenylphenyl)-4-methylphenyl]-9H-fluorene
CID 145017041
4-[1-(9H-fluoren-2-yl)ethylamino]butan-1-ol
CID 106840519
9,9-dimethyl-2-[4-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)phenyl]fluorene
CID 145212388
N-[1-(9H-fluoren-2-yl)ethyl]propan-2-amine
CID 43095190
3-[3-ethenyl-1-[4-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)phenyl]-2-[(Z)-prop-1-enyl]indol-5-yl]-9-(9H-fluoren-3-yl)carbazole
CID 144619407
3-(9H-fluoren-2-yl)-3-(propylamino)propan-1-ol
CID 64814899
1-(9H-fluoren-3-yl)-N-methylbutan-1-amine
CID 43483862
N-[1-(9H-fluoren-2-yl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 16776550
9-[(E,3E)-3-[(2Z)-4-(2-ethylcyclohexa-1,5-dien-1-yl)-2-ethylidene-3,3-dimethylinden-1-ylidene]prop-1-enyl]-3-(9H-fluoren-3-yl)carbazole
CID 144578625
4-oxo-4-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butanamide
CID 108795927

Frequently Asked Questions

What is the IUPAC name of N-[1-[6-[4-methyl-3-(2-propylcyclohexa-1,5-dien-1-yl)phenyl]-9H-fluoren-2-yl]ethyl]-1-phenylprop-1-en-1-amine?
The IUPAC name of N-[1-[6-[4-methyl-3-(2-propylcyclohexa-1,5-dien-1-yl)phenyl]-9H-fluoren-2-yl]ethyl]-1-phenylprop-1-en-1-amine (CID 142614979) is N-[1-[6-[4-methyl-3-(2-propylcyclohexa-1,5-dien-1-yl)phenyl]-9H-fluoren-2-yl]ethyl]-1-phenylprop-1-en-1-amine.
What is the SMILES notation for N-[1-[6-[4-methyl-3-(2-propylcyclohexa-1,5-dien-1-yl)phenyl]-9H-fluoren-2-yl]ethyl]-1-phenylprop-1-en-1-amine?
The canonical SMILES for N-[1-[6-[4-methyl-3-(2-propylcyclohexa-1,5-dien-1-yl)phenyl]-9H-fluoren-2-yl]ethyl]-1-phenylprop-1-en-1-amine is CC=C(NC(C)c1ccc2c(c1)Cc1ccc(-c3ccc(C)c(C4=C(CCC)CCC=C4)c3)cc1-2)c1ccccc1.
What is the InChIKey of N-[1-[6-[4-methyl-3-(2-propylcyclohexa-1,5-dien-1-yl)phenyl]-9H-fluoren-2-yl]ethyl]-1-phenylprop-1-en-1-amine?
The InChIKey is XAFXLSRYGSUZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H41N/c1-5-12-29-13-10-11-16-36(29)38-25-32(18-17-27(38)3)33-19-20-34-24-35-23-31(21-22-37(35)39(34)26-33)28(4)41-40(6-2)30-14-8-7-9-15-30/h6-9,11,14-23,25-26,28,41H,5,10,12-13,24H2,1-4H3.
What are the key properties of N-[1-[6-[4-methyl-3-(2-propylcyclohexa-1,5-dien-1-yl)phenyl]-9H-fluoren-2-yl]ethyl]-1-phenylprop-1-en-1-amine?
N-[1-[6-[4-methyl-3-(2-propylcyclohexa-1,5-dien-1-yl)phenyl]-9H-fluoren-2-yl]ethyl]-1-phenylprop-1-en-1-amine has a molecular weight of 535.78 g/mol, XLogP of 10.85, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-[4-methyl-3-(2-propylcyclohexa-1,5-dien-1-yl)phenyl]-9H-fluoren-2-yl]ethyl]-1-phenylprop-1-en-1-amine is sourced from PubChem (CID 142614979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).