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

C37H29NO2 — CID 164850101

IUPAC9-carbazol-9-yl-7,7,12,12-tetramethylnaphtho[2,3-b]xanthen-14-one
SMILESCC1(C)c2cc(-n3c4ccccc4c4ccccc43)ccc2C(C)(C)c2cc3c(=O)c4ccccc4oc3cc21
InChIInChI=1S/C37H29NO2/c1-36(2)27-18-17-22(38-31-14-8-5-11-23(31)24-12-6-9-15-32(24)38)19-28(27)37(3,4)30-21-34-26(20-29(30)36)35(39)25-13-7-10-16-33(25)40-34/h5-21H,1-4H3
InChIKeyCKWLCAUWMYOPFQ-UHFFFAOYSA-N
MW519.64 g/mol
LogP9.01
Rot. Bonds1

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

9-carbazol-9-yl-7,7,12,12-tetramethylnaphtho[2,3-b]xanthen-14-one (PubChem CID 164850101) has the molecular formula C37H29NO2 and a molecular weight of 519.64 g/mol. Its IUPAC name is 9-carbazol-9-yl-7,7,12,12-tetramethylnaphtho[2,3-b]xanthen-14-one.

Molecular Properties

Compound Name9-carbazol-9-yl-7,7,12,12-tetramethylnaphtho[2,3-b]xanthen-14-one
PubChem CID164850101
Molecular FormulaC37H29NO2
Molecular Weight519.64 g/mol
Exact Mass519.22
IUPAC Name9-carbazol-9-yl-7,7,12,12-tetramethylnaphtho[2,3-b]xanthen-14-one
SMILESCC1(C)c2cc(-n3c4ccccc4c4ccccc43)ccc2C(C)(C)c2cc3c(=O)c4ccccc4oc3cc21
InChIInChI=1S/C37H29NO2/c1-36(2)27-18-17-22(38-31-14-8-5-11-23(31)24-12-6-9-15-32(24)38)19-28(27)37(3,4)30-21-34-26(20-29(30)36)35(39)25-13-7-10-16-33(25)40-34/h5-21H,1-4H3
InChIKeyCKWLCAUWMYOPFQ-UHFFFAOYSA-N
XLogP9.01
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.64
LogP ≤ 59.01
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

3-[4-[3,6-di(carbazol-9-yl)-9,9-dimethylacridin-10-yl]phenyl]xanthen-9-one
CID 142288428
10-carbazol-9-yl-7,7,12,12-tetramethylnaphtho[2,3-b]thioxanthen-14-one
CID 164850182
10-carbazol-9-yl-7,12-dihydronaphtho[2,3-b]xanthen-14-one
CID 164850216
7,18-ditert-butyl-3'-carbazol-9-ylspiro[21-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene-10,9'-fluorene]-14-one
CID 164757641
3-[4-(2-carbazol-9-yl-7-phenylcarbazol-9-yl)phenyl]xanthen-9-one
CID 142288913
3-(9,9-dimethylacridin-10-yl)chromeno[3,2-b]xanthene-12,14-dione
CID 164765363
3-[14-(9-oxoxanthen-3-yl)-[1,4]benzothiazino[2,3-b]phenothiazin-7-yl]xanthen-9-one
CID 130396337
15,15-dimethyl-19-[4-(4-methylphenyl)phenyl]-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 118891844
9-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-9-yl)-3,6-diphenylcarbazole
CID 118098800
12-dibenzofuran-3-yl-7,7-dimethylindeno[1,2-a]carbazole
CID 118502345
CID 168812360
CID 168812360
3-[9,9-dimethyl-7-(N-(9-phenylcarbazol-3-yl)anilino)fluoren-3-yl]xanthen-9-one
CID 142288906

Frequently Asked Questions

What is the IUPAC name of 9-carbazol-9-yl-7,7,12,12-tetramethylnaphtho[2,3-b]xanthen-14-one?
The IUPAC name of 9-carbazol-9-yl-7,7,12,12-tetramethylnaphtho[2,3-b]xanthen-14-one (CID 164850101) is 9-carbazol-9-yl-7,7,12,12-tetramethylnaphtho[2,3-b]xanthen-14-one.
What is the SMILES notation for 9-carbazol-9-yl-7,7,12,12-tetramethylnaphtho[2,3-b]xanthen-14-one?
The canonical SMILES for 9-carbazol-9-yl-7,7,12,12-tetramethylnaphtho[2,3-b]xanthen-14-one is CC1(C)c2cc(-n3c4ccccc4c4ccccc43)ccc2C(C)(C)c2cc3c(=O)c4ccccc4oc3cc21.
What is the InChIKey of 9-carbazol-9-yl-7,7,12,12-tetramethylnaphtho[2,3-b]xanthen-14-one?
The InChIKey is CKWLCAUWMYOPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H29NO2/c1-36(2)27-18-17-22(38-31-14-8-5-11-23(31)24-12-6-9-15-32(24)38)19-28(27)37(3,4)30-21-34-26(20-29(30)36)35(39)25-13-7-10-16-33(25)40-34/h5-21H,1-4H3.
What are the key properties of 9-carbazol-9-yl-7,7,12,12-tetramethylnaphtho[2,3-b]xanthen-14-one?
9-carbazol-9-yl-7,7,12,12-tetramethylnaphtho[2,3-b]xanthen-14-one has a molecular weight of 519.64 g/mol, XLogP of 9.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-carbazol-9-yl-7,7,12,12-tetramethylnaphtho[2,3-b]xanthen-14-one is sourced from PubChem (CID 164850101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).