N-[(3Z,5E)-7-methylidene-2H-1-benzoxonin-5-yl]-N-phenyl-9-(4-phenylphenyl)carbazol-4-amine

C43H32N2O — CID 90377489

IUPACN-[(3Z,5E)-7-methylidene-2H-1-benzoxonin-5-yl]-N-phenyl-9-(4-phenylphenyl)carbazol-4-amine
SMILESC=C1/C=C(N(c2ccccc2)c2cccc3c2c2ccccc2n3-c2ccc(-c3ccccc3)cc2)\C=C/COc2ccccc21
InChIInChI=1S/C43H32N2O/c1-31-30-36(18-13-29-46-42-24-11-9-19-37(31)42)44(34-16-6-3-7-17-34)40-22-12-23-41-43(40)38-20-8-10-21-39(38)45(41)35-27-25-33(26-28-35)32-14-4-2-5-15-32/h2-28,30H,1,29H2/b18-13-,36-30+
InChIKeyRLCZNRDHEDYZMV-QEOILCOGSA-N
MW592.74 g/mol
LogP11.13
Rot. Bonds5

About N-[(3Z,5E)-7-methylidene-2H-1-benzoxonin-5-yl]-N-phenyl-9-(4-phenylphenyl)carbazol-4-amine

N-[(3Z,5E)-7-methylidene-2H-1-benzoxonin-5-yl]-N-phenyl-9-(4-phenylphenyl)carbazol-4-amine (PubChem CID 90377489) has the molecular formula C43H32N2O and a molecular weight of 592.74 g/mol. Its IUPAC name is N-[(3Z,5E)-7-methylidene-2H-1-benzoxonin-5-yl]-N-phenyl-9-(4-phenylphenyl)carbazol-4-amine.

Molecular Properties

Compound NameN-[(3Z,5E)-7-methylidene-2H-1-benzoxonin-5-yl]-N-phenyl-9-(4-phenylphenyl)carbazol-4-amine
PubChem CID90377489
Molecular FormulaC43H32N2O
Molecular Weight592.74 g/mol
Exact Mass592.25
IUPAC NameN-[(3Z,5E)-7-methylidene-2H-1-benzoxonin-5-yl]-N-phenyl-9-(4-phenylphenyl)carbazol-4-amine
SMILESC=C1/C=C(N(c2ccccc2)c2cccc3c2c2ccccc2n3-c2ccc(-c3ccccc3)cc2)\C=C/COc2ccccc21
InChIInChI=1S/C43H32N2O/c1-31-30-36(18-13-29-46-42-24-11-9-19-37(31)42)44(34-16-6-3-7-17-34)40-22-12-23-41-43(40)38-20-8-10-21-39(38)45(41)35-27-25-33(26-28-35)32-14-4-2-5-15-32/h2-28,30H,1,29H2/b18-13-,36-30+
InChIKeyRLCZNRDHEDYZMV-QEOILCOGSA-N
XLogP11.13
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.74
LogP ≤ 511.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3Z,5E)-7-methylidene-2H-1-benzoxonin-5-yl]-N-phenyl-9-(4-phenylphenyl)carbazol-4-amine?
The IUPAC name of N-[(3Z,5E)-7-methylidene-2H-1-benzoxonin-5-yl]-N-phenyl-9-(4-phenylphenyl)carbazol-4-amine (CID 90377489) is N-[(3Z,5E)-7-methylidene-2H-1-benzoxonin-5-yl]-N-phenyl-9-(4-phenylphenyl)carbazol-4-amine.
What is the SMILES notation for N-[(3Z,5E)-7-methylidene-2H-1-benzoxonin-5-yl]-N-phenyl-9-(4-phenylphenyl)carbazol-4-amine?
The canonical SMILES for N-[(3Z,5E)-7-methylidene-2H-1-benzoxonin-5-yl]-N-phenyl-9-(4-phenylphenyl)carbazol-4-amine is C=C1/C=C(N(c2ccccc2)c2cccc3c2c2ccccc2n3-c2ccc(-c3ccccc3)cc2)\C=C/COc2ccccc21.
What is the InChIKey of N-[(3Z,5E)-7-methylidene-2H-1-benzoxonin-5-yl]-N-phenyl-9-(4-phenylphenyl)carbazol-4-amine?
The InChIKey is RLCZNRDHEDYZMV-QEOILCOGSA-N. The full InChI is InChI=1S/C43H32N2O/c1-31-30-36(18-13-29-46-42-24-11-9-19-37(31)42)44(34-16-6-3-7-17-34)40-22-12-23-41-43(40)38-20-8-10-21-39(38)45(41)35-27-25-33(26-28-35)32-14-4-2-5-15-32/h2-28,30H,1,29H2/b18-13-,36-30+.
What are the key properties of N-[(3Z,5E)-7-methylidene-2H-1-benzoxonin-5-yl]-N-phenyl-9-(4-phenylphenyl)carbazol-4-amine?
N-[(3Z,5E)-7-methylidene-2H-1-benzoxonin-5-yl]-N-phenyl-9-(4-phenylphenyl)carbazol-4-amine has a molecular weight of 592.74 g/mol, XLogP of 11.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z,5E)-7-methylidene-2H-1-benzoxonin-5-yl]-N-phenyl-9-(4-phenylphenyl)carbazol-4-amine is sourced from PubChem (CID 90377489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).