4-(3-dibenzothiophen-2-ylcarbazol-9-yl)-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene

C39H22N2S — CID 130325879

IUPAC4-(3-dibenzothiophen-2-ylcarbazol-9-yl)-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
SMILESc1ccc2c(c1)-c1cccc3c(-n4c5ccccc5c5cc(-c6ccc7sc8ccccc8c7c6)ccc54)ncc-2c13
InChIInChI=1S/C39H22N2S/c1-2-9-26-25(8-1)29-12-7-13-30-38(29)33(26)22-40-39(30)41-34-14-5-3-10-27(34)31-20-23(16-18-35(31)41)24-17-19-37-32(21-24)28-11-4-6-15-36(28)42-37/h1-22H
InChIKeyGAKCRAKJCUOYML-UHFFFAOYSA-N
MW550.69 g/mol
LogP11.01
Rot. Bonds2

About 4-(3-dibenzothiophen-2-ylcarbazol-9-yl)-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene

4-(3-dibenzothiophen-2-ylcarbazol-9-yl)-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene (PubChem CID 130325879) has the molecular formula C39H22N2S and a molecular weight of 550.69 g/mol. Its IUPAC name is 4-(3-dibenzothiophen-2-ylcarbazol-9-yl)-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene.

Molecular Properties

Compound Name4-(3-dibenzothiophen-2-ylcarbazol-9-yl)-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
PubChem CID130325879
Molecular FormulaC39H22N2S
Molecular Weight550.69 g/mol
Exact Mass550.15
IUPAC Name4-(3-dibenzothiophen-2-ylcarbazol-9-yl)-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
SMILESc1ccc2c(c1)-c1cccc3c(-n4c5ccccc5c5cc(-c6ccc7sc8ccccc8c7c6)ccc54)ncc-2c13
InChIInChI=1S/C39H22N2S/c1-2-9-26-25(8-1)29-12-7-13-30-38(29)33(26)22-40-39(30)41-34-14-5-3-10-27(34)31-20-23(16-18-35(31)41)24-17-19-37-32(21-24)28-11-4-6-15-36(28)42-37/h1-22H
InChIKeyGAKCRAKJCUOYML-UHFFFAOYSA-N
XLogP11.01
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.69
LogP ≤ 511.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(3-dibenzothiophen-2-ylcarbazol-9-yl)-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene with MolForge

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Related Compounds

4-[3-(6-dibenzothiophen-2-yl-9-phenylcarbazol-3-yl)phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
CID 130325705
3-(3-dibenzothiophen-2-ylcarbazol-9-yl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
CID 130325912
5-[9-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-4-yl)carbazol-3-yl]-7-phenylbenzo[c]carbazole
CID 130326764
3-dibenzothiophen-2-yl-9-[4-(8-phenylfluoranthen-3-yl)phenyl]carbazole
CID 71291327
9-dibenzothiophen-2-yl-3-fluoranthen-8-ylcarbazole
CID 122434657
9-dibenzothiophen-3-yl-3-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)carbazole
CID 134301090
3-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-9-phenylcarbazole
CID 138474901
9-dibenzothiophen-2-yl-3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-5-phenylcarbazole
CID 170072891
CID 144619443
CID 144619443
4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-3,11-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene
CID 145167603
4-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-3,11-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene
CID 130326137
2-[9-(3,11-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaen-4-yl)carbazol-3-yl]-5-phenylbenzo[b]carbazole
CID 130326154

Frequently Asked Questions

What is the IUPAC name of 4-(3-dibenzothiophen-2-ylcarbazol-9-yl)-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene?
The IUPAC name of 4-(3-dibenzothiophen-2-ylcarbazol-9-yl)-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene (CID 130325879) is 4-(3-dibenzothiophen-2-ylcarbazol-9-yl)-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene.
What is the SMILES notation for 4-(3-dibenzothiophen-2-ylcarbazol-9-yl)-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene?
The canonical SMILES for 4-(3-dibenzothiophen-2-ylcarbazol-9-yl)-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene is c1ccc2c(c1)-c1cccc3c(-n4c5ccccc5c5cc(-c6ccc7sc8ccccc8c7c6)ccc54)ncc-2c13.
What is the InChIKey of 4-(3-dibenzothiophen-2-ylcarbazol-9-yl)-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene?
The InChIKey is GAKCRAKJCUOYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H22N2S/c1-2-9-26-25(8-1)29-12-7-13-30-38(29)33(26)22-40-39(30)41-34-14-5-3-10-27(34)31-20-23(16-18-35(31)41)24-17-19-37-32(21-24)28-11-4-6-15-36(28)42-37/h1-22H.
What are the key properties of 4-(3-dibenzothiophen-2-ylcarbazol-9-yl)-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene?
4-(3-dibenzothiophen-2-ylcarbazol-9-yl)-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene has a molecular weight of 550.69 g/mol, XLogP of 11.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-dibenzothiophen-2-ylcarbazol-9-yl)-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene is sourced from PubChem (CID 130325879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).