10-carbazol-9-yl-7,12-dihydronaphtho[2,3-b]xanthen-14-one

C33H21NO2 — CID 164850216

IUPAC10-carbazol-9-yl-7,12-dihydronaphtho[2,3-b]xanthen-14-one
SMILESO=c1c2ccccc2oc2cc3c(cc12)Cc1cc(-n2c4ccccc4c4ccccc42)ccc1C3
InChIInChI=1S/C33H21NO2/c35-33-27-9-3-6-12-31(27)36-32-19-23-15-20-13-14-24(17-21(20)16-22(23)18-28(32)33)34-29-10-4-1-7-25(29)26-8-2-5-11-30(26)34/h1-14,17-19H,15-16H2
InChIKeyMHFIPEGSFNBPCX-UHFFFAOYSA-N
MW463.54 g/mol
LogP7.54
Rot. Bonds1

About 10-carbazol-9-yl-7,12-dihydronaphtho[2,3-b]xanthen-14-one

10-carbazol-9-yl-7,12-dihydronaphtho[2,3-b]xanthen-14-one (PubChem CID 164850216) has the molecular formula C33H21NO2 and a molecular weight of 463.54 g/mol. Its IUPAC name is 10-carbazol-9-yl-7,12-dihydronaphtho[2,3-b]xanthen-14-one.

Molecular Properties

Compound Name10-carbazol-9-yl-7,12-dihydronaphtho[2,3-b]xanthen-14-one
PubChem CID164850216
Molecular FormulaC33H21NO2
Molecular Weight463.54 g/mol
Exact Mass463.16
IUPAC Name10-carbazol-9-yl-7,12-dihydronaphtho[2,3-b]xanthen-14-one
SMILESO=c1c2ccccc2oc2cc3c(cc12)Cc1cc(-n2c4ccccc4c4ccccc42)ccc1C3
InChIInChI=1S/C33H21NO2/c35-33-27-9-3-6-12-31(27)36-32-19-23-15-20-13-14-24(17-21(20)16-22(23)18-28(32)33)34-29-10-4-1-7-25(29)26-8-2-5-11-30(26)34/h1-14,17-19H,15-16H2
InChIKeyMHFIPEGSFNBPCX-UHFFFAOYSA-N
XLogP7.54
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.54
LogP ≤ 57.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9-carbazol-9-yl-7,7,12,12-tetramethylnaphtho[2,3-b]xanthen-14-one
CID 164850101
3-[4-(2-carbazol-9-yl-7-phenylcarbazol-9-yl)phenyl]xanthen-9-one
CID 142288913
CID 168812360
CID 168812360
9-[8-[6-(8-carbazol-9-yldibenzofuran-2-yl)-9H-fluoren-3-yl]dibenzofuran-2-yl]carbazole
CID 143456606
11,16-di(carbazol-9-yl)-30-oxa-3-azaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(20),2(7),3,5,8(13),9,11,14(19),15,17,21,24,26,28,31-pentadecaen-23-one
CID 134428472
3-[14-(9-oxoxanthen-3-yl)-[1,4]benzothiazino[2,3-b]phenothiazin-7-yl]xanthen-9-one
CID 130396337
9-(6-carbazol-9-yl-9H-fluoren-3-yl)carbazole
CID 59464809
3-[4-[3,6-di(carbazol-9-yl)-9,9-dimethylacridin-10-yl]phenyl]xanthen-9-one
CID 142288428
9-(17-carbazol-9-yl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl)carbazole
CID 59147323
10-[4-(12-phenyl-9,12-diazaoctacyclo[18.12.0.02,10.03,8.011,19.013,18.022,31.024,29]dotriaconta-1(20),2(10),3,5,7,11(19),13,15,17,21,24,26,28,31-tetradecaen-9-yl)phenyl]acridin-9-one
CID 137426301
2-(5-phenylindolo[3,2-b]carbazol-11-yl)chromeno[2,3-f][1,3]benzoxazol-10-one
CID 118531831
3-carbazol-9-yl-9-(7-carbazol-9-yldibenzofuran-3-yl)carbazole
CID 123285372

Frequently Asked Questions

What is the IUPAC name of 10-carbazol-9-yl-7,12-dihydronaphtho[2,3-b]xanthen-14-one?
The IUPAC name of 10-carbazol-9-yl-7,12-dihydronaphtho[2,3-b]xanthen-14-one (CID 164850216) is 10-carbazol-9-yl-7,12-dihydronaphtho[2,3-b]xanthen-14-one.
What is the SMILES notation for 10-carbazol-9-yl-7,12-dihydronaphtho[2,3-b]xanthen-14-one?
The canonical SMILES for 10-carbazol-9-yl-7,12-dihydronaphtho[2,3-b]xanthen-14-one is O=c1c2ccccc2oc2cc3c(cc12)Cc1cc(-n2c4ccccc4c4ccccc42)ccc1C3.
What is the InChIKey of 10-carbazol-9-yl-7,12-dihydronaphtho[2,3-b]xanthen-14-one?
The InChIKey is MHFIPEGSFNBPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21NO2/c35-33-27-9-3-6-12-31(27)36-32-19-23-15-20-13-14-24(17-21(20)16-22(23)18-28(32)33)34-29-10-4-1-7-25(29)26-8-2-5-11-30(26)34/h1-14,17-19H,15-16H2.
What are the key properties of 10-carbazol-9-yl-7,12-dihydronaphtho[2,3-b]xanthen-14-one?
10-carbazol-9-yl-7,12-dihydronaphtho[2,3-b]xanthen-14-one has a molecular weight of 463.54 g/mol, XLogP of 7.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-carbazol-9-yl-7,12-dihydronaphtho[2,3-b]xanthen-14-one is sourced from PubChem (CID 164850216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).