1-(9,9-dipropylfluoren-2-yl)-2-imino-2-naphthalen-1-ylethanone

C31H29NO — CID 134225148

IUPAC1-(9,9-dipropylfluoren-2-yl)-2-imino-2-naphthalen-1-ylethanone
SMILES[H]/N=C(/C(=O)c1ccc2c(c1)C(CCC)(CCC)c1ccccc1-2)c1cccc2ccccc12
InChIInChI=1S/C31H29NO/c1-3-18-31(19-4-2)27-15-8-7-13-24(27)25-17-16-22(20-28(25)31)30(33)29(32)26-14-9-11-21-10-5-6-12-23(21)26/h5-17,20,32H,3-4,18-19H2,1-2H3/b32-29+
InChIKeyDXXCLVMBDRPIFR-UUDCSCGESA-N
MW431.58 g/mol
LogP7.96
Rot. Bonds7

About 1-(9,9-dipropylfluoren-2-yl)-2-imino-2-naphthalen-1-ylethanone

1-(9,9-dipropylfluoren-2-yl)-2-imino-2-naphthalen-1-ylethanone (PubChem CID 134225148) has the molecular formula C31H29NO and a molecular weight of 431.58 g/mol. Its IUPAC name is 1-(9,9-dipropylfluoren-2-yl)-2-imino-2-naphthalen-1-ylethanone.

Molecular Properties

Compound Name1-(9,9-dipropylfluoren-2-yl)-2-imino-2-naphthalen-1-ylethanone
PubChem CID134225148
Molecular FormulaC31H29NO
Molecular Weight431.58 g/mol
Exact Mass431.22
IUPAC Name1-(9,9-dipropylfluoren-2-yl)-2-imino-2-naphthalen-1-ylethanone
SMILES[H]/N=C(/C(=O)c1ccc2c(c1)C(CCC)(CCC)c1ccccc1-2)c1cccc2ccccc12
InChIInChI=1S/C31H29NO/c1-3-18-31(19-4-2)27-15-8-7-13-24(27)25-17-16-22(20-28(25)31)30(33)29(32)26-14-9-11-21-10-5-6-12-23(21)26/h5-17,20,32H,3-4,18-19H2,1-2H3/b32-29+
InChIKeyDXXCLVMBDRPIFR-UUDCSCGESA-N
XLogP7.96
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.58
LogP ≤ 57.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(NZ)-N-[(9,9-dipropylfluoren-2-yl)-naphthalen-1-ylmethylidene]hydroxylamine
CID 118371891
acetic acid;methyl 3-[2-[2-imino-2-(2-methylphenyl)acetyl]-9-(3-methoxy-3-oxopropyl)fluoren-9-yl]propanoate
CID 144999512
[(E)-[1-(2-methylphenyl)-2-[7-(naphthalene-1-carbonyl)-9,9-dipropylfluoren-2-yl]-2-oxoethylidene]amino] acetate
CID 122597198
1-(9,9-dipropylfluoren-2-yl)-2-phenylethanone
CID 129094188
[(E)-[2-(9,9-dipropylfluoren-2-yl)-1-(2-methylnaphthalen-1-yl)-2-oxoethylidene]amino] acetate;[(Z)-[2-(9,9-dipropylfluoren-2-yl)-1-(2-methyl-6-phenylphenyl)-2-oxoethylidene]amino] acetate
CID 172928026
[(E)-[1-(9,9-dipropylfluoren-2-yl)-1-oxooctan-2-ylidene]amino] acetate
CID 164786886
3-cyclohexyl-2-imino-1-[7-(2-methylbenzoyl)-9,9-dipropylfluoren-2-yl]propan-1-one
CID 167065613
1,3-bis(9,9-dihexylfluoren-2-yl)propane-1,3-dione
CID 141179723
2,7-bis(9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene
CID 86174244
9-(9,9-dipropylfluoren-2-yl)-10-naphthalen-2-ylanthracene
CID 91416934
[4-[10-[4-(9,9-dihexylfluorene-2-carbonyl)phenyl]anthracen-9-yl]phenyl]-(9,9-dihexylfluoren-2-yl)methanone
CID 102418466
[(E)-[(2-methylphenyl)-[5-(naphthalene-1-carbonyl)-7,7-dipropylbenzo[g]fluoren-9-yl]methylidene]amino] acetate
CID 156516860

Frequently Asked Questions

What is the IUPAC name of 1-(9,9-dipropylfluoren-2-yl)-2-imino-2-naphthalen-1-ylethanone?
The IUPAC name of 1-(9,9-dipropylfluoren-2-yl)-2-imino-2-naphthalen-1-ylethanone (CID 134225148) is 1-(9,9-dipropylfluoren-2-yl)-2-imino-2-naphthalen-1-ylethanone.
What is the SMILES notation for 1-(9,9-dipropylfluoren-2-yl)-2-imino-2-naphthalen-1-ylethanone?
The canonical SMILES for 1-(9,9-dipropylfluoren-2-yl)-2-imino-2-naphthalen-1-ylethanone is [H]/N=C(/C(=O)c1ccc2c(c1)C(CCC)(CCC)c1ccccc1-2)c1cccc2ccccc12.
What is the InChIKey of 1-(9,9-dipropylfluoren-2-yl)-2-imino-2-naphthalen-1-ylethanone?
The InChIKey is DXXCLVMBDRPIFR-UUDCSCGESA-N. The full InChI is InChI=1S/C31H29NO/c1-3-18-31(19-4-2)27-15-8-7-13-24(27)25-17-16-22(20-28(25)31)30(33)29(32)26-14-9-11-21-10-5-6-12-23(21)26/h5-17,20,32H,3-4,18-19H2,1-2H3/b32-29+.
What are the key properties of 1-(9,9-dipropylfluoren-2-yl)-2-imino-2-naphthalen-1-ylethanone?
1-(9,9-dipropylfluoren-2-yl)-2-imino-2-naphthalen-1-ylethanone has a molecular weight of 431.58 g/mol, XLogP of 7.96, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9,9-dipropylfluoren-2-yl)-2-imino-2-naphthalen-1-ylethanone is sourced from PubChem (CID 134225148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).