12-(9-dibenzofuran-1-yldibenzothiophen-3-yl)-11-phenyl-6a,11a-dihydroindolo[2,3-a]carbazole

C48H30N2OS — CID 170287498

IUPAC12-(9-dibenzofuran-1-yldibenzothiophen-3-yl)-11-phenyl-6a,11a-dihydroindolo[2,3-a]carbazole
SMILESC1=CC2c3ccccc3N(c3ccccc3)C2c2c1c1ccccc1n2-c1ccc2c(c1)sc1cccc(-c3cccc4oc5ccccc5c34)c12
InChIInChI=1S/C48H30N2OS/c1-2-12-29(13-3-1)49-39-19-7-4-14-31(39)35-26-27-36-32-15-5-8-20-40(32)50(48(36)47(35)49)30-24-25-38-44(28-30)52-43-23-11-18-34(46(38)43)33-17-10-22-42-45(33)37-16-6-9-21-41(37)51-42/h1-28,35,47H
InChIKeyLVMRESWYOYTDAJ-UHFFFAOYSA-N
MW682.85 g/mol
LogP13.57
Rot. Bonds3

About 12-(9-dibenzofuran-1-yldibenzothiophen-3-yl)-11-phenyl-6a,11a-dihydroindolo[2,3-a]carbazole

12-(9-dibenzofuran-1-yldibenzothiophen-3-yl)-11-phenyl-6a,11a-dihydroindolo[2,3-a]carbazole (PubChem CID 170287498) has the molecular formula C48H30N2OS and a molecular weight of 682.85 g/mol. Its IUPAC name is 12-(9-dibenzofuran-1-yldibenzothiophen-3-yl)-11-phenyl-6a,11a-dihydroindolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-(9-dibenzofuran-1-yldibenzothiophen-3-yl)-11-phenyl-6a,11a-dihydroindolo[2,3-a]carbazole
PubChem CID170287498
Molecular FormulaC48H30N2OS
Molecular Weight682.85 g/mol
Exact Mass682.21
IUPAC Name12-(9-dibenzofuran-1-yldibenzothiophen-3-yl)-11-phenyl-6a,11a-dihydroindolo[2,3-a]carbazole
SMILESC1=CC2c3ccccc3N(c3ccccc3)C2c2c1c1ccccc1n2-c1ccc2c(c1)sc1cccc(-c3cccc4oc5ccccc5c34)c12
InChIInChI=1S/C48H30N2OS/c1-2-12-29(13-3-1)49-39-19-7-4-14-31(39)35-26-27-36-32-15-5-8-20-40(32)50(48(36)47(35)49)30-24-25-38-44(28-30)52-43-23-11-18-34(46(38)43)33-17-10-22-42-45(33)37-16-6-9-21-41(37)51-42/h1-28,35,47H
InChIKeyLVMRESWYOYTDAJ-UHFFFAOYSA-N
XLogP13.57
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.85
LogP ≤ 513.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

12-(9-dibenzofuran-4-yldibenzofuran-3-yl)-11-phenyl-6a,11a-dihydroindolo[2,3-a]carbazole
CID 170277898
12-(7-dibenzofuran-4-yldibenzothiophen-3-yl)-11-phenyl-6a,11a-dihydroindolo[2,3-a]carbazole
CID 170279117
11-phenyl-12-(9-phenyldibenzothiophen-2-yl)-6a,11a-dihydroindolo[2,3-a]carbazole
CID 170287575
12-(8-dibenzofuran-3-yldibenzothiophen-3-yl)-5-phenyl-7a,12a-dihydroindolo[3,2-c]carbazole
CID 170278594
9-(9-dibenzofuran-1-yldibenzothiophen-2-yl)carbazole
CID 170278265
9-(9-dibenzofuran-3-yldibenzothiophen-3-yl)carbazole
CID 170688529
9-[9-(4a,9b-dihydrodibenzofuran-3-yl)dibenzothiophen-3-yl]carbazole
CID 170286309
12-[9-(6,7-dihydrodibenzofuran-1-yl)dibenzothiophen-2-yl]-6a,11a-dihydro-[1]benzothiolo[2,3-a]carbazole
CID 170287540
7-[7-[11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6a,11a-dihydroindolo[2,3-a]carbazol-12-yl]-9,9-dimethylfluoren-2-yl]-2-phenyl-1,3-benzoxazole
CID 174275456
9-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzothiophen-3-yl]-4a,9a-dihydrocarbazole
CID 170086538
9-[9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzofuran-3-yl]carbazole
CID 169011493
9-(9-dibenzothiophen-3-yldibenzofuran-2-yl)carbazole
CID 170276632

Frequently Asked Questions

What is the IUPAC name of 12-(9-dibenzofuran-1-yldibenzothiophen-3-yl)-11-phenyl-6a,11a-dihydroindolo[2,3-a]carbazole?
The IUPAC name of 12-(9-dibenzofuran-1-yldibenzothiophen-3-yl)-11-phenyl-6a,11a-dihydroindolo[2,3-a]carbazole (CID 170287498) is 12-(9-dibenzofuran-1-yldibenzothiophen-3-yl)-11-phenyl-6a,11a-dihydroindolo[2,3-a]carbazole.
What is the SMILES notation for 12-(9-dibenzofuran-1-yldibenzothiophen-3-yl)-11-phenyl-6a,11a-dihydroindolo[2,3-a]carbazole?
The canonical SMILES for 12-(9-dibenzofuran-1-yldibenzothiophen-3-yl)-11-phenyl-6a,11a-dihydroindolo[2,3-a]carbazole is C1=CC2c3ccccc3N(c3ccccc3)C2c2c1c1ccccc1n2-c1ccc2c(c1)sc1cccc(-c3cccc4oc5ccccc5c34)c12.
What is the InChIKey of 12-(9-dibenzofuran-1-yldibenzothiophen-3-yl)-11-phenyl-6a,11a-dihydroindolo[2,3-a]carbazole?
The InChIKey is LVMRESWYOYTDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2OS/c1-2-12-29(13-3-1)49-39-19-7-4-14-31(39)35-26-27-36-32-15-5-8-20-40(32)50(48(36)47(35)49)30-24-25-38-44(28-30)52-43-23-11-18-34(46(38)43)33-17-10-22-42-45(33)37-16-6-9-21-41(37)51-42/h1-28,35,47H.
What are the key properties of 12-(9-dibenzofuran-1-yldibenzothiophen-3-yl)-11-phenyl-6a,11a-dihydroindolo[2,3-a]carbazole?
12-(9-dibenzofuran-1-yldibenzothiophen-3-yl)-11-phenyl-6a,11a-dihydroindolo[2,3-a]carbazole has a molecular weight of 682.85 g/mol, XLogP of 13.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(9-dibenzofuran-1-yldibenzothiophen-3-yl)-11-phenyl-6a,11a-dihydroindolo[2,3-a]carbazole is sourced from PubChem (CID 170287498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).