4'-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]

C35H21N3S — CID 146655844

IUPAC4'-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]
SMILESc1ccc2c(c1)Sc1c(-n3c4ccccc4c4ccccc43)cccc1C21c2cccnc2-c2ncccc21
InChIInChI=1S/C35H21N3S/c1-4-16-28-22(10-1)23-11-2-5-17-29(23)38(28)30-18-7-13-27-34(30)39-31-19-6-3-12-24(31)35(27)25-14-8-20-36-32(25)33-26(35)15-9-21-37-33/h1-21H
InChIKeyMTIMLXDNFVJZNG-UHFFFAOYSA-N
MW515.64 g/mol
LogP8.40
Rot. Bonds1

About 4'-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]

4'-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene] (PubChem CID 146655844) has the molecular formula C35H21N3S and a molecular weight of 515.64 g/mol. Its IUPAC name is 4'-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene].

Molecular Properties

Compound Name4'-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]
PubChem CID146655844
Molecular FormulaC35H21N3S
Molecular Weight515.64 g/mol
Exact Mass515.15
IUPAC Name4'-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]
SMILESc1ccc2c(c1)Sc1c(-n3c4ccccc4c4ccccc43)cccc1C21c2cccnc2-c2ncccc21
InChIInChI=1S/C35H21N3S/c1-4-16-28-22(10-1)23-11-2-5-17-29(23)38(28)30-18-7-13-27-34(30)39-31-19-6-3-12-24(31)35(27)25-14-8-20-36-32(25)33-26(35)15-9-21-37-33/h1-21H
InChIKeyMTIMLXDNFVJZNG-UHFFFAOYSA-N
XLogP8.40
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.64
LogP ≤ 58.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4'-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene] with MolForge

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Related Compounds

9-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-4'-ylpyrido[3,4-b]indole-6-carbonitrile
CID 146655836
3'-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]
CID 146656168
4',5'-di(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
CID 146655633
4'-carbazol-9-yl-5'-(3-phenothiazin-10-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
CID 146654790
4'-carbazol-9-yl-5'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
CID 146654809
2'-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];2',5-di(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];2',7'-di(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];3',5,6',11-tetra(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene];2',5,11-tri(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]
CID 160574097
4'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
CID 146654482
9-phenyl-6-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-4'-ylcarbazole-3-carbonitrile
CID 146655532
3'-(3-phenothiazin-10-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
CID 146654552
9-(6'-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-1'-yl)carbazole-3-carbonitrile
CID 146656175
5'-(3-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-thiochromeno[3,2-c]phenothiazine];4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5'-(9-phenylcarbazol-2-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-thiochromeno[3,2-c]phenothiazine];3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-thiochromeno[3,2-c]phenothiazine]-5'-yl]-N,N-diphenylaniline
CID 167682034
1',6'-di(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
CID 146655287

Frequently Asked Questions

What is the IUPAC name of 4'-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]?
The IUPAC name of 4'-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene] (CID 146655844) is 4'-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene].
What is the SMILES notation for 4'-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]?
The canonical SMILES for 4'-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene] is c1ccc2c(c1)Sc1c(-n3c4ccccc4c4ccccc43)cccc1C21c2cccnc2-c2ncccc21.
What is the InChIKey of 4'-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]?
The InChIKey is MTIMLXDNFVJZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21N3S/c1-4-16-28-22(10-1)23-11-2-5-17-29(23)38(28)30-18-7-13-27-34(30)39-31-19-6-3-12-24(31)35(27)25-14-8-20-36-32(25)33-26(35)15-9-21-37-33/h1-21H.
What are the key properties of 4'-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]?
4'-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene] has a molecular weight of 515.64 g/mol, XLogP of 8.40, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene] is sourced from PubChem (CID 146655844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).