(Z)-4-methoxy-3-[4-(9-phenylcarbazol-3-yl)phenyl]pent-3-en-2-one

C30H25NO2 — CID 134598525

IUPAC(Z)-4-methoxy-3-[4-(9-phenylcarbazol-3-yl)phenyl]pent-3-en-2-one
SMILESCO/C(C)=C(\C(C)=O)c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C30H25NO2/c1-20(32)30(21(2)33-3)23-15-13-22(14-16-23)24-17-18-29-27(19-24)26-11-7-8-12-28(26)31(29)25-9-5-4-6-10-25/h4-19H,1-3H3/b30-21+
InChIKeyBFHGMGQTNJSQCS-MWAVMZGNSA-N
MW431.54 g/mol
LogP7.42
Rot. Bonds5

About (Z)-4-methoxy-3-[4-(9-phenylcarbazol-3-yl)phenyl]pent-3-en-2-one

(Z)-4-methoxy-3-[4-(9-phenylcarbazol-3-yl)phenyl]pent-3-en-2-one (PubChem CID 134598525) has the molecular formula C30H25NO2 and a molecular weight of 431.54 g/mol. Its IUPAC name is (Z)-4-methoxy-3-[4-(9-phenylcarbazol-3-yl)phenyl]pent-3-en-2-one.

Molecular Properties

Compound Name(Z)-4-methoxy-3-[4-(9-phenylcarbazol-3-yl)phenyl]pent-3-en-2-one
PubChem CID134598525
Molecular FormulaC30H25NO2
Molecular Weight431.54 g/mol
Exact Mass431.19
IUPAC Name(Z)-4-methoxy-3-[4-(9-phenylcarbazol-3-yl)phenyl]pent-3-en-2-one
SMILESCO/C(C)=C(\C(C)=O)c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C30H25NO2/c1-20(32)30(21(2)33-3)23-15-13-22(14-16-23)24-17-18-29-27(19-24)26-11-7-8-12-28(26)31(29)25-9-5-4-6-10-25/h4-19H,1-3H3/b30-21+
InChIKeyBFHGMGQTNJSQCS-MWAVMZGNSA-N
XLogP7.42
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.54
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-4-methoxy-3-[2,3,5,6-tetramethyl-4-(9-phenylcarbazol-3-yl)phenyl]pent-3-en-2-one
CID 134598526
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403
methyl 9-phenylcarbazole-3-carboxylate
CID 164892004
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158667860
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
3-(4-chlorophenyl)-9-phenylcarbazole
CID 59365524
3,9-diphenyl-6-[3-(9-phenylcarbazol-3-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492191
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-6-(3-phenylphenyl)carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-6-(4-phenylphenyl)carbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 165019259
3,9-diphenyl-6-[3-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole;3,9-diphenyl-6-[4-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 161263241

Frequently Asked Questions

What is the IUPAC name of (Z)-4-methoxy-3-[4-(9-phenylcarbazol-3-yl)phenyl]pent-3-en-2-one?
The IUPAC name of (Z)-4-methoxy-3-[4-(9-phenylcarbazol-3-yl)phenyl]pent-3-en-2-one (CID 134598525) is (Z)-4-methoxy-3-[4-(9-phenylcarbazol-3-yl)phenyl]pent-3-en-2-one.
What is the SMILES notation for (Z)-4-methoxy-3-[4-(9-phenylcarbazol-3-yl)phenyl]pent-3-en-2-one?
The canonical SMILES for (Z)-4-methoxy-3-[4-(9-phenylcarbazol-3-yl)phenyl]pent-3-en-2-one is CO/C(C)=C(\C(C)=O)c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.
What is the InChIKey of (Z)-4-methoxy-3-[4-(9-phenylcarbazol-3-yl)phenyl]pent-3-en-2-one?
The InChIKey is BFHGMGQTNJSQCS-MWAVMZGNSA-N. The full InChI is InChI=1S/C30H25NO2/c1-20(32)30(21(2)33-3)23-15-13-22(14-16-23)24-17-18-29-27(19-24)26-11-7-8-12-28(26)31(29)25-9-5-4-6-10-25/h4-19H,1-3H3/b30-21+.
What are the key properties of (Z)-4-methoxy-3-[4-(9-phenylcarbazol-3-yl)phenyl]pent-3-en-2-one?
(Z)-4-methoxy-3-[4-(9-phenylcarbazol-3-yl)phenyl]pent-3-en-2-one has a molecular weight of 431.54 g/mol, XLogP of 7.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-methoxy-3-[4-(9-phenylcarbazol-3-yl)phenyl]pent-3-en-2-one is sourced from PubChem (CID 134598525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).