5-(6-dibenzothiophen-1-yldibenzothiophen-2-yl)-7,7-dimethylindeno[2,1-b]carbazole

C45H29NS2 — CID 146533076

IUPAC5-(6-dibenzothiophen-1-yldibenzothiophen-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc5sc6c(-c7cccc8sc9ccccc9c78)cccc6c5c4)c3cc21
InChIInChI=1S/C45H29NS2/c1-45(2)36-17-6-3-11-27(36)33-24-34-28-12-4-7-18-38(28)46(39(34)25-37(33)45)26-21-22-41-35(23-26)31-16-9-15-30(44(31)48-41)29-14-10-20-42-43(29)32-13-5-8-19-40(32)47-42/h3-25H,1-2H3
InChIKeyOOYVGYJNIYNBBL-UHFFFAOYSA-N
MW647.87 g/mol
LogP13.49
Rot. Bonds2

About 5-(6-dibenzothiophen-1-yldibenzothiophen-2-yl)-7,7-dimethylindeno[2,1-b]carbazole

5-(6-dibenzothiophen-1-yldibenzothiophen-2-yl)-7,7-dimethylindeno[2,1-b]carbazole (PubChem CID 146533076) has the molecular formula C45H29NS2 and a molecular weight of 647.87 g/mol. Its IUPAC name is 5-(6-dibenzothiophen-1-yldibenzothiophen-2-yl)-7,7-dimethylindeno[2,1-b]carbazole.

Molecular Properties

Compound Name5-(6-dibenzothiophen-1-yldibenzothiophen-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
PubChem CID146533076
Molecular FormulaC45H29NS2
Molecular Weight647.87 g/mol
Exact Mass647.17
IUPAC Name5-(6-dibenzothiophen-1-yldibenzothiophen-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc5sc6c(-c7cccc8sc9ccccc9c78)cccc6c5c4)c3cc21
InChIInChI=1S/C45H29NS2/c1-45(2)36-17-6-3-11-27(36)33-24-34-28-12-4-7-18-38(28)46(39(34)25-37(33)45)26-21-22-41-35(23-26)31-16-9-15-30(44(31)48-41)29-14-10-20-42-43(29)32-13-5-8-19-40(32)47-42/h3-25H,1-2H3
InChIKeyOOYVGYJNIYNBBL-UHFFFAOYSA-N
XLogP13.49
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500647.87
LogP ≤ 513.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(7-dibenzothiophen-3-yldibenzothiophen-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 170279174
3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(9,9-dimethylfluoren-2-yl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;7,7-dimethyl-5-phenyl-2-[9-(4-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole;9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 161187955
7,7-dimethyl-5-phenyl-2-[9-(9-phenylcarbazol-1-yl)dibenzothiophen-2-yl]indeno[2,1-b]carbazole
CID 134516493
2-carbazol-9-yl-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 139504500
15-[4-(4-carbazol-9-ylphenyl)phenyl]-11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;15-(4-carbazol-9-ylphenyl)-11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;15-(4-dibenzothiophen-2-ylphenyl)-11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;15-(4-dibenzothiophen-4-ylphenyl)-11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;15-dibenzothiophen-3-yl-11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;15-[3,5-di(carbazol-9-yl)phenyl]-11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;11,11,19,19-tetramethyl-15-[4-(9-phenylcarbazol-3-yl)phenyl]-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;11,11,19,19-tetramethyl-15-(8-phenyldibenzofuran-2-yl)-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene
CID 159078168
7,7-dimethyl-5-naphthalen-2-yl-2-(9-phenylcarbazol-3-yl)indeno[2,1-b]carbazole;3-(9-phenylcarbazol-3-yl)-12-(3-phenylphenyl)-[1]benzothiolo[2,3-a]carbazole;9-(9-phenylcarbazol-3-yl)-12-(3-phenylphenyl)-[1]benzothiolo[3,2-a]carbazole
CID 161246000
5-[6-(2-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-4-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 118335098
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
2-[9-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-10-yl)carbazol-2-yl]-9-(9,9-dimethylfluoren-2-yl)carbazole;2-[9-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-10-yl)carbazol-3-yl]-9-(9,9-dimethylfluoren-2-yl)carbazole;3-[9-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-10-yl)carbazol-2-yl]-9-(9,9-dimethylfluoren-2-yl)carbazole
CID 159745382
5-(6-dibenzofuran-1-yldibenzofuran-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;9-(6-dibenzothiophen-1-yldibenzofuran-2-yl)carbazole;9-(6-dibenzothiophen-1-yldibenzofuran-2-yl)-3,6-diphenylcarbazole;9-(6-dibenzothiophen-1-yldibenzofuran-2-yl)-3-phenylcarbazole
CID 157256089
2-(3-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 118013996
7,7-dimethyl-5-(9-phenylcarbazol-2-yl)indeno[2,1-b]carbazole
CID 89472164

Frequently Asked Questions

What is the IUPAC name of 5-(6-dibenzothiophen-1-yldibenzothiophen-2-yl)-7,7-dimethylindeno[2,1-b]carbazole?
The IUPAC name of 5-(6-dibenzothiophen-1-yldibenzothiophen-2-yl)-7,7-dimethylindeno[2,1-b]carbazole (CID 146533076) is 5-(6-dibenzothiophen-1-yldibenzothiophen-2-yl)-7,7-dimethylindeno[2,1-b]carbazole.
What is the SMILES notation for 5-(6-dibenzothiophen-1-yldibenzothiophen-2-yl)-7,7-dimethylindeno[2,1-b]carbazole?
The canonical SMILES for 5-(6-dibenzothiophen-1-yldibenzothiophen-2-yl)-7,7-dimethylindeno[2,1-b]carbazole is CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc5sc6c(-c7cccc8sc9ccccc9c78)cccc6c5c4)c3cc21.
What is the InChIKey of 5-(6-dibenzothiophen-1-yldibenzothiophen-2-yl)-7,7-dimethylindeno[2,1-b]carbazole?
The InChIKey is OOYVGYJNIYNBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29NS2/c1-45(2)36-17-6-3-11-27(36)33-24-34-28-12-4-7-18-38(28)46(39(34)25-37(33)45)26-21-22-41-35(23-26)31-16-9-15-30(44(31)48-41)29-14-10-20-42-43(29)32-13-5-8-19-40(32)47-42/h3-25H,1-2H3.
What are the key properties of 5-(6-dibenzothiophen-1-yldibenzothiophen-2-yl)-7,7-dimethylindeno[2,1-b]carbazole?
5-(6-dibenzothiophen-1-yldibenzothiophen-2-yl)-7,7-dimethylindeno[2,1-b]carbazole has a molecular weight of 647.87 g/mol, XLogP of 13.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-dibenzothiophen-1-yldibenzothiophen-2-yl)-7,7-dimethylindeno[2,1-b]carbazole is sourced from PubChem (CID 146533076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).