(E)-1-[6-(2-carbazol-9-ylethyl)-2,2-dimethylchromen-8-yl]-3-phenylprop-2-en-1-one

C34H29NO2 — CID 73388376

IUPAC(E)-1-[6-(2-carbazol-9-ylethyl)-2,2-dimethylchromen-8-yl]-3-phenylprop-2-en-1-one
SMILESCC1(C)C=Cc2cc(CCn3c4ccccc4c4ccccc43)cc(C(=O)/C=C/c3ccccc3)c2O1
InChIInChI=1S/C34H29NO2/c1-34(2)20-18-26-22-25(23-29(33(26)37-34)32(36)17-16-24-10-4-3-5-11-24)19-21-35-30-14-8-6-12-27(30)28-13-7-9-15-31(28)35/h3-18,20,22-23H,19,21H2,1-2H3/b17-16+
InChIKeyYRESUBWPBDDYGW-WUKNDPDISA-N
MW483.61 g/mol
LogP8.12
Rot. Bonds6

About (E)-1-[6-(2-carbazol-9-ylethyl)-2,2-dimethylchromen-8-yl]-3-phenylprop-2-en-1-one

(E)-1-[6-(2-carbazol-9-ylethyl)-2,2-dimethylchromen-8-yl]-3-phenylprop-2-en-1-one (PubChem CID 73388376) has the molecular formula C34H29NO2 and a molecular weight of 483.61 g/mol. Its IUPAC name is (E)-1-[6-(2-carbazol-9-ylethyl)-2,2-dimethylchromen-8-yl]-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[6-(2-carbazol-9-ylethyl)-2,2-dimethylchromen-8-yl]-3-phenylprop-2-en-1-one
PubChem CID73388376
Molecular FormulaC34H29NO2
Molecular Weight483.61 g/mol
Exact Mass483.22
IUPAC Name(E)-1-[6-(2-carbazol-9-ylethyl)-2,2-dimethylchromen-8-yl]-3-phenylprop-2-en-1-one
SMILESCC1(C)C=Cc2cc(CCn3c4ccccc4c4ccccc43)cc(C(=O)/C=C/c3ccccc3)c2O1
InChIInChI=1S/C34H29NO2/c1-34(2)20-18-26-22-25(23-29(33(26)37-34)32(36)17-16-24-10-4-3-5-11-24)19-21-35-30-14-8-6-12-27(30)28-13-7-9-15-31(28)35/h3-18,20,22-23H,19,21H2,1-2H3/b17-16+
InChIKeyYRESUBWPBDDYGW-WUKNDPDISA-N
XLogP8.12
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.61
LogP ≤ 58.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-1-[6-(2-carbazol-9-ylethyl)-2,2-dimethylchromen-8-yl]-3-phenylprop-2-en-1-one with MolForge

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Related Compounds

(E)-1-[7-hydroxy-2,2-dimethyl-8-(3-methylbut-2-enyl)chromen-6-yl]-3-phenylprop-2-en-1-one
CID 42607519
1-(5,8-dihydroxy-2,2-dimethylchromen-6-yl)-3-phenylprop-2-en-1-one
CID 85402242
ethane;9-propylcarbazole;(9-propylcarbazol-3-yl)methyl (E)-3-phenylprop-2-enoate
CID 158589869
1-(7-hydroxy-5-methoxy-2,2-dimethylchromen-6-yl)-3-phenylprop-2-en-1-one
CID 73195975
(E)-3-(4-acetylphenyl)-1-(9-butylcarbazol-3-yl)prop-2-en-1-one
CID 102199280
1-(2-aminophenyl)-3-(9-ethylcarbazol-3-yl)prop-2-en-1-one
CID 71372095
4-[3-(3-phenylprop-2-enoyl)indol-1-yl]butanoic acid
CID 54387012
3-(2,4-dihydroxyphenyl)-1-[7-hydroxy-2,2-dimethyl-8-(3-methylbut-2-enyl)chromen-6-yl]prop-2-en-1-one
CID 74819190
methyl 1-benzyl-2-[(E)-3-phenylprop-2-enoyl]indole-3-carboxylate
CID 15326359
1-butyl-4-hydroxy-3-(3-phenylprop-2-enoyl)quinolin-2-one
CID 54711057
N-[2-methoxy-5-[3-(5-methoxy-2,2-dimethylchromen-8-yl)-3-oxoprop-1-enyl]phenyl]-1-phenylmethanesulfonamide
CID 123626686
4-(3-phenylprop-2-enoyl)naphthalene-1-carboxylic acid
CID 70207100

Frequently Asked Questions

What is the IUPAC name of (E)-1-[6-(2-carbazol-9-ylethyl)-2,2-dimethylchromen-8-yl]-3-phenylprop-2-en-1-one?
The IUPAC name of (E)-1-[6-(2-carbazol-9-ylethyl)-2,2-dimethylchromen-8-yl]-3-phenylprop-2-en-1-one (CID 73388376) is (E)-1-[6-(2-carbazol-9-ylethyl)-2,2-dimethylchromen-8-yl]-3-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-1-[6-(2-carbazol-9-ylethyl)-2,2-dimethylchromen-8-yl]-3-phenylprop-2-en-1-one?
The canonical SMILES for (E)-1-[6-(2-carbazol-9-ylethyl)-2,2-dimethylchromen-8-yl]-3-phenylprop-2-en-1-one is CC1(C)C=Cc2cc(CCn3c4ccccc4c4ccccc43)cc(C(=O)/C=C/c3ccccc3)c2O1.
What is the InChIKey of (E)-1-[6-(2-carbazol-9-ylethyl)-2,2-dimethylchromen-8-yl]-3-phenylprop-2-en-1-one?
The InChIKey is YRESUBWPBDDYGW-WUKNDPDISA-N. The full InChI is InChI=1S/C34H29NO2/c1-34(2)20-18-26-22-25(23-29(33(26)37-34)32(36)17-16-24-10-4-3-5-11-24)19-21-35-30-14-8-6-12-27(30)28-13-7-9-15-31(28)35/h3-18,20,22-23H,19,21H2,1-2H3/b17-16+.
What are the key properties of (E)-1-[6-(2-carbazol-9-ylethyl)-2,2-dimethylchromen-8-yl]-3-phenylprop-2-en-1-one?
(E)-1-[6-(2-carbazol-9-ylethyl)-2,2-dimethylchromen-8-yl]-3-phenylprop-2-en-1-one has a molecular weight of 483.61 g/mol, XLogP of 8.12, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[6-(2-carbazol-9-ylethyl)-2,2-dimethylchromen-8-yl]-3-phenylprop-2-en-1-one is sourced from PubChem (CID 73388376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).