10-hydroxy-3-(9-phenylcarbazol-3-yl)benzo[c]chromen-6-one

C31H19NO3 — CID 121242368

IUPAC10-hydroxy-3-(9-phenylcarbazol-3-yl)benzo[c]chromen-6-one
SMILESO=c1oc2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2c2c(O)cccc12
InChIInChI=1S/C31H19NO3/c33-28-12-6-10-24-30(28)23-15-13-20(18-29(23)35-31(24)34)19-14-16-27-25(17-19)22-9-4-5-11-26(22)32(27)21-7-2-1-3-8-21/h1-18,33H
InChIKeyJCFXNRKSXJOGMK-UHFFFAOYSA-N
MW453.50 g/mol
LogP7.42
Rot. Bonds2

About 10-hydroxy-3-(9-phenylcarbazol-3-yl)benzo[c]chromen-6-one

10-hydroxy-3-(9-phenylcarbazol-3-yl)benzo[c]chromen-6-one (PubChem CID 121242368) has the molecular formula C31H19NO3 and a molecular weight of 453.50 g/mol. Its IUPAC name is 10-hydroxy-3-(9-phenylcarbazol-3-yl)benzo[c]chromen-6-one.

Molecular Properties

Compound Name10-hydroxy-3-(9-phenylcarbazol-3-yl)benzo[c]chromen-6-one
PubChem CID121242368
Molecular FormulaC31H19NO3
Molecular Weight453.50 g/mol
Exact Mass453.14
IUPAC Name10-hydroxy-3-(9-phenylcarbazol-3-yl)benzo[c]chromen-6-one
SMILESO=c1oc2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2c2c(O)cccc12
InChIInChI=1S/C31H19NO3/c33-28-12-6-10-24-30(28)23-15-13-20(18-29(23)35-31(24)34)19-14-16-27-25(17-19)22-9-4-5-11-26(22)32(27)21-7-2-1-3-8-21/h1-18,33H
InChIKeyJCFXNRKSXJOGMK-UHFFFAOYSA-N
XLogP7.42
TPSA55.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.50
LogP ≤ 57.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

8-methyl-3-(9-phenylcarbazol-3-yl)benzo[c]chromen-6-one
CID 145049959
9-phenyl-3-[7-(9-phenylcarbazol-3-yl)dibenzofuran-3-yl]carbazole
CID 118565554
10-phenyl-7-(9-phenylcarbazol-2-yl)-14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,16,18,20-nonaen-15-one
CID 118248537
3-(9-phenylcarbazol-3-yl)-9-(7-phenyldibenzofuran-1-yl)carbazole
CID 168850152
3-phenyl-6-(9-phenylcarbazol-2-yl)-15-oxa-3-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,16,18,20-nonaen-14-one
CID 118248423
8-(4-carbazol-9-ylphenyl)benzo[c]chromen-6-one;8-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]benzo[c]chromen-6-one
CID 158033258
8-dibenzofuran-2-yl-3-(9-phenylcarbazol-2-yl)benzo[c]chromen-6-one
CID 121242474
3,9-diphenyl-6-[7-(9-phenylcarbazol-2-yl)dibenzofuran-3-yl]carbazole
CID 118565399
3-dibenzofuran-3-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 129065102
3-[4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole
CID 165169158
3-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]-9-phenylcarbazole
CID 146702712
3,6-bis(9-dibenzofuran-3-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594553

Frequently Asked Questions

What is the IUPAC name of 10-hydroxy-3-(9-phenylcarbazol-3-yl)benzo[c]chromen-6-one?
The IUPAC name of 10-hydroxy-3-(9-phenylcarbazol-3-yl)benzo[c]chromen-6-one (CID 121242368) is 10-hydroxy-3-(9-phenylcarbazol-3-yl)benzo[c]chromen-6-one.
What is the SMILES notation for 10-hydroxy-3-(9-phenylcarbazol-3-yl)benzo[c]chromen-6-one?
The canonical SMILES for 10-hydroxy-3-(9-phenylcarbazol-3-yl)benzo[c]chromen-6-one is O=c1oc2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2c2c(O)cccc12.
What is the InChIKey of 10-hydroxy-3-(9-phenylcarbazol-3-yl)benzo[c]chromen-6-one?
The InChIKey is JCFXNRKSXJOGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19NO3/c33-28-12-6-10-24-30(28)23-15-13-20(18-29(23)35-31(24)34)19-14-16-27-25(17-19)22-9-4-5-11-26(22)32(27)21-7-2-1-3-8-21/h1-18,33H.
What are the key properties of 10-hydroxy-3-(9-phenylcarbazol-3-yl)benzo[c]chromen-6-one?
10-hydroxy-3-(9-phenylcarbazol-3-yl)benzo[c]chromen-6-one has a molecular weight of 453.50 g/mol, XLogP of 7.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-hydroxy-3-(9-phenylcarbazol-3-yl)benzo[c]chromen-6-one is sourced from PubChem (CID 121242368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).