(2R,4R)-2-carbazol-9-yl-4-phenyl-3,4-dihydro-2H-pyrano[3,2-c]chromen-5-one

C30H21NO3 — CID 12971729

IUPAC(2R,4R)-2-carbazol-9-yl-4-phenyl-3,4-dihydro-2H-pyrano[3,2-c]chromen-5-one
SMILESO=c1oc2ccccc2c2c1[C@@H](c1ccccc1)C[C@H](n1c3ccccc3c3ccccc31)O2
InChIInChI=1S/C30H21NO3/c32-30-28-23(19-10-2-1-3-11-19)18-27(34-29(28)22-14-6-9-17-26(22)33-30)31-24-15-7-4-12-20(24)21-13-5-8-16-25(21)31/h1-17,23,27H,18H2/t23-,27-/m1/s1
InChIKeyKFQPWFSPCKUGMY-YIXXDRMTSA-N
MW443.50 g/mol
LogP7.01
Rot. Bonds2

About (2R,4R)-2-carbazol-9-yl-4-phenyl-3,4-dihydro-2H-pyrano[3,2-c]chromen-5-one

(2R,4R)-2-carbazol-9-yl-4-phenyl-3,4-dihydro-2H-pyrano[3,2-c]chromen-5-one (PubChem CID 12971729) has the molecular formula C30H21NO3 and a molecular weight of 443.50 g/mol. Its IUPAC name is (2R,4R)-2-carbazol-9-yl-4-phenyl-3,4-dihydro-2H-pyrano[3,2-c]chromen-5-one.

Molecular Properties

Compound Name(2R,4R)-2-carbazol-9-yl-4-phenyl-3,4-dihydro-2H-pyrano[3,2-c]chromen-5-one
PubChem CID12971729
Molecular FormulaC30H21NO3
Molecular Weight443.50 g/mol
Exact Mass443.15
IUPAC Name(2R,4R)-2-carbazol-9-yl-4-phenyl-3,4-dihydro-2H-pyrano[3,2-c]chromen-5-one
SMILESO=c1oc2ccccc2c2c1[C@@H](c1ccccc1)C[C@H](n1c3ccccc3c3ccccc31)O2
InChIInChI=1S/C30H21NO3/c32-30-28-23(19-10-2-1-3-11-19)18-27(34-29(28)22-14-6-9-17-26(22)33-30)31-24-15-7-4-12-20(24)21-13-5-8-16-25(21)31/h1-17,23,27H,18H2/t23-,27-/m1/s1
InChIKeyKFQPWFSPCKUGMY-YIXXDRMTSA-N
XLogP7.01
TPSA44.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.50
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R,4R)-2-carbazol-9-yl-4-phenyl-3,4-dihydro-2H-pyrano[3,2-c]chromen-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(7R,11aR)-7-phenyl-7a,9,10,11a-tetrahydro-7H-chromeno[3,2-c]chromene-6,8,11-trione
CID 101123904
(2S,3S)-4-oxo-3-phenyl-2,3-dihydrofuro[3,2-c]chromene-2-carbonitrile
CID 102451654
(2S,4S)-2-ethoxy-4-(4-nitrophenyl)-3,4-dihydro-2H-pyrano[3,2-c]chromen-5-one
CID 102090932
methyl (2R,3R)-4-oxo-2-phenyl-2,3-dihydrofuro[3,2-c]chromene-3-carboxylate
CID 10782063
CID 101070743
CID 101070743
(4S)-4-(4-nitrophenyl)-3,4-dihydropyrano[3,2-c]chromene-2,5-dione
CID 7348630
2-amino-5-oxo-4-phenyl-4H-pyrano[3,2-c]chromene-3-carbonitrile
CID 2815057
15-methyl-11-phenyl-8,18-dioxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,12(17),15-hexaene-9,13-dione
CID 11840825
7-(4-phenylphenyl)-7,9,10,11-tetrahydrochromeno[3,2-c]chromene-6,8-dione
CID 122214288
(4-hydroxy-2-oxochromen-3-yl)-phenyliodanium
CID 54735251
4-(3-chloro-4-hydroxyphenyl)-3,4-dihydropyrano[3,2-c]chromene-2,5-dione
CID 91638083
(2R,3S)-4-oxo-N-phenyl-3-propan-2-yl-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
CID 97424848

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-carbazol-9-yl-4-phenyl-3,4-dihydro-2H-pyrano[3,2-c]chromen-5-one?
The IUPAC name of (2R,4R)-2-carbazol-9-yl-4-phenyl-3,4-dihydro-2H-pyrano[3,2-c]chromen-5-one (CID 12971729) is (2R,4R)-2-carbazol-9-yl-4-phenyl-3,4-dihydro-2H-pyrano[3,2-c]chromen-5-one.
What is the SMILES notation for (2R,4R)-2-carbazol-9-yl-4-phenyl-3,4-dihydro-2H-pyrano[3,2-c]chromen-5-one?
The canonical SMILES for (2R,4R)-2-carbazol-9-yl-4-phenyl-3,4-dihydro-2H-pyrano[3,2-c]chromen-5-one is O=c1oc2ccccc2c2c1[C@@H](c1ccccc1)C[C@H](n1c3ccccc3c3ccccc31)O2.
What is the InChIKey of (2R,4R)-2-carbazol-9-yl-4-phenyl-3,4-dihydro-2H-pyrano[3,2-c]chromen-5-one?
The InChIKey is KFQPWFSPCKUGMY-YIXXDRMTSA-N. The full InChI is InChI=1S/C30H21NO3/c32-30-28-23(19-10-2-1-3-11-19)18-27(34-29(28)22-14-6-9-17-26(22)33-30)31-24-15-7-4-12-20(24)21-13-5-8-16-25(21)31/h1-17,23,27H,18H2/t23-,27-/m1/s1.
What are the key properties of (2R,4R)-2-carbazol-9-yl-4-phenyl-3,4-dihydro-2H-pyrano[3,2-c]chromen-5-one?
(2R,4R)-2-carbazol-9-yl-4-phenyl-3,4-dihydro-2H-pyrano[3,2-c]chromen-5-one has a molecular weight of 443.50 g/mol, XLogP of 7.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-carbazol-9-yl-4-phenyl-3,4-dihydro-2H-pyrano[3,2-c]chromen-5-one is sourced from PubChem (CID 12971729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).