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

C37H29NOS — CID 164850182

IUPAC10-carbazol-9-yl-7,7,12,12-tetramethylnaphtho[2,3-b]thioxanthen-14-one
SMILESCC1(C)c2ccc(-n3c4ccccc4c4ccccc43)cc2C(C)(C)c2cc3c(=O)c4ccccc4sc3cc21
InChIInChI=1S/C37H29NOS/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)29-20-26-34(21-30(29)36)40-33-16-10-7-13-25(33)35(26)39/h5-21H,1-4H3
InChIKeyHGVITXBUIICEEC-UHFFFAOYSA-N
MW535.71 g/mol
LogP9.48
Rot. Bonds1

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

10-carbazol-9-yl-7,7,12,12-tetramethylnaphtho[2,3-b]thioxanthen-14-one (PubChem CID 164850182) has the molecular formula C37H29NOS and a molecular weight of 535.71 g/mol. Its IUPAC name is 10-carbazol-9-yl-7,7,12,12-tetramethylnaphtho[2,3-b]thioxanthen-14-one.

Molecular Properties

Compound Name10-carbazol-9-yl-7,7,12,12-tetramethylnaphtho[2,3-b]thioxanthen-14-one
PubChem CID164850182
Molecular FormulaC37H29NOS
Molecular Weight535.71 g/mol
Exact Mass535.20
IUPAC Name10-carbazol-9-yl-7,7,12,12-tetramethylnaphtho[2,3-b]thioxanthen-14-one
SMILESCC1(C)c2ccc(-n3c4ccccc4c4ccccc43)cc2C(C)(C)c2cc3c(=O)c4ccccc4sc3cc21
InChIInChI=1S/C37H29NOS/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)29-20-26-34(21-30(29)36)40-33-16-10-7-13-25(33)35(26)39/h5-21H,1-4H3
InChIKeyHGVITXBUIICEEC-UHFFFAOYSA-N
XLogP9.48
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.71
LogP ≤ 59.48
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-tetraphenylnaphtho[2,3-b]thioxanthen-14-one
CID 164850130
3'-carbazol-9-ylspiro[21-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,15,17,19-nonaene-10,9'-fluorene]-14-one
CID 164757627
9-(11,11-dimethylfluoreno[3,2-b][1]benzothiol-9-yl)carbazole
CID 58501473
9-carbazol-9-yl-7,7,12,12-tetramethylnaphtho[2,3-b]xanthen-14-one
CID 164850101
3-[9-(7,7-dimethylfluoreno[2,3-b][1]benzothiol-9-yl)carbazol-3-yl]-9-phenylcarbazole
CID 118099006
25-carbazol-9-yl-22-dibenzothiophen-2-yl-32,32-dimethyl-22-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.023,28]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,23(28),24,26,29-pentadecaene
CID 90222706
3-(9-dibenzothiophen-3-ylcarbazol-3-yl)-9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbazole
CID 170277812
9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole
CID 59348313
2,7-bis(9-phenylcarbazol-3-yl)thioxanthen-9-one
CID 167425338
2-[14-(9-oxothioxanthen-2-yl)-[1,4]benzoxazino[2,3-b]phenoxazin-7-yl]thioxanthen-9-one
CID 130396383
5-(7-dibenzothiophen-3-yldibenzothiophen-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 170279174
7-(3-carbazol-9-ylphenyl)-[1]benzothiolo[2,3-b]carbazole
CID 118503110

Frequently Asked Questions

What is the IUPAC name of 10-carbazol-9-yl-7,7,12,12-tetramethylnaphtho[2,3-b]thioxanthen-14-one?
The IUPAC name of 10-carbazol-9-yl-7,7,12,12-tetramethylnaphtho[2,3-b]thioxanthen-14-one (CID 164850182) is 10-carbazol-9-yl-7,7,12,12-tetramethylnaphtho[2,3-b]thioxanthen-14-one.
What is the SMILES notation for 10-carbazol-9-yl-7,7,12,12-tetramethylnaphtho[2,3-b]thioxanthen-14-one?
The canonical SMILES for 10-carbazol-9-yl-7,7,12,12-tetramethylnaphtho[2,3-b]thioxanthen-14-one is CC1(C)c2ccc(-n3c4ccccc4c4ccccc43)cc2C(C)(C)c2cc3c(=O)c4ccccc4sc3cc21.
What is the InChIKey of 10-carbazol-9-yl-7,7,12,12-tetramethylnaphtho[2,3-b]thioxanthen-14-one?
The InChIKey is HGVITXBUIICEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H29NOS/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)29-20-26-34(21-30(29)36)40-33-16-10-7-13-25(33)35(26)39/h5-21H,1-4H3.
What are the key properties of 10-carbazol-9-yl-7,7,12,12-tetramethylnaphtho[2,3-b]thioxanthen-14-one?
10-carbazol-9-yl-7,7,12,12-tetramethylnaphtho[2,3-b]thioxanthen-14-one has a molecular weight of 535.71 g/mol, XLogP of 9.48, 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-7,7,12,12-tetramethylnaphtho[2,3-b]thioxanthen-14-one is sourced from PubChem (CID 164850182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).