12-(7-dibenzofuran-4-yldibenzothiophen-3-yl)-11-phenyl-6a,11a-dihydroindolo[2,3-a]carbazole

C48H30N2OS — CID 170279117

IUPAC12-(7-dibenzofuran-4-yldibenzothiophen-3-yl)-11-phenyl-6a,11a-dihydroindolo[2,3-a]carbazole
SMILESC1=CC2c3ccccc3N(c3ccccc3)C2c2c1c1ccccc1n2-c1ccc2c(c1)sc1cc(-c3cccc4c3oc3ccccc34)ccc12
InChIInChI=1S/C48H30N2OS/c1-2-11-30(12-3-1)49-41-18-7-4-13-33(41)38-25-26-39-34-14-5-8-19-42(34)50(47(39)46(38)49)31-22-24-37-36-23-21-29(27-44(36)52-45(37)28-31)32-16-10-17-40-35-15-6-9-20-43(35)51-48(32)40/h1-28,38,46H
InChIKeyLVVHPXBRKCTQAM-UHFFFAOYSA-N
MW682.85 g/mol
LogP13.57
Rot. Bonds3

About 12-(7-dibenzofuran-4-yldibenzothiophen-3-yl)-11-phenyl-6a,11a-dihydroindolo[2,3-a]carbazole

12-(7-dibenzofuran-4-yldibenzothiophen-3-yl)-11-phenyl-6a,11a-dihydroindolo[2,3-a]carbazole (PubChem CID 170279117) has the molecular formula C48H30N2OS and a molecular weight of 682.85 g/mol. Its IUPAC name is 12-(7-dibenzofuran-4-yldibenzothiophen-3-yl)-11-phenyl-6a,11a-dihydroindolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-(7-dibenzofuran-4-yldibenzothiophen-3-yl)-11-phenyl-6a,11a-dihydroindolo[2,3-a]carbazole
PubChem CID170279117
Molecular FormulaC48H30N2OS
Molecular Weight682.85 g/mol
Exact Mass682.21
IUPAC Name12-(7-dibenzofuran-4-yldibenzothiophen-3-yl)-11-phenyl-6a,11a-dihydroindolo[2,3-a]carbazole
SMILESC1=CC2c3ccccc3N(c3ccccc3)C2c2c1c1ccccc1n2-c1ccc2c(c1)sc1cc(-c3cccc4c3oc3ccccc34)ccc12
InChIInChI=1S/C48H30N2OS/c1-2-11-30(12-3-1)49-41-18-7-4-13-33(41)38-25-26-39-34-14-5-8-19-42(34)50(47(39)46(38)49)31-22-24-37-36-23-21-29(27-44(36)52-45(37)28-31)32-16-10-17-40-35-15-6-9-20-43(35)51-48(32)40/h1-28,38,46H
InChIKeyLVVHPXBRKCTQAM-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-1-yldibenzothiophen-3-yl)-11-phenyl-6a,11a-dihydroindolo[2,3-a]carbazole
CID 170287498
12-(9-dibenzofuran-4-yldibenzofuran-3-yl)-11-phenyl-6a,11a-dihydroindolo[2,3-a]carbazole
CID 170277898
11-phenyl-12-(9-phenyldibenzothiophen-2-yl)-6a,11a-dihydroindolo[2,3-a]carbazole
CID 170287575
9-(7-dibenzofuran-4-yldibenzothiophen-3-yl)-3,6-diphenylcarbazole
CID 170278460
12-(8-dibenzofuran-3-yldibenzothiophen-3-yl)-5-phenyl-7a,12a-dihydroindolo[3,2-c]carbazole
CID 170278594
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-[7-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzothiophen-3-yl]carbazole
CID 169010783
9-(8-dibenzofuran-4-yldibenzothiophen-3-yl)-3-triphenylen-2-ylcarbazole
CID 170278507
9-[6-[3-[2-(4a,9a-dihydrocarbazol-9-yl)dibenzofuran-4-yl]phenyl]dibenzofuran-2-yl]carbazole
CID 163612002
9-[6-[3-[8-(4a,9a-dihydrocarbazol-9-yl)dibenzofuran-4-yl]phenyl]dibenzofuran-2-yl]carbazole
CID 163719008
9-[7-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzothiophen-3-yl]carbazole
CID 169010650
3-dibenzofuran-4-yl-9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4a,9a-dihydrocarbazole
CID 170137084

Frequently Asked Questions

What is the IUPAC name of 12-(7-dibenzofuran-4-yldibenzothiophen-3-yl)-11-phenyl-6a,11a-dihydroindolo[2,3-a]carbazole?
The IUPAC name of 12-(7-dibenzofuran-4-yldibenzothiophen-3-yl)-11-phenyl-6a,11a-dihydroindolo[2,3-a]carbazole (CID 170279117) is 12-(7-dibenzofuran-4-yldibenzothiophen-3-yl)-11-phenyl-6a,11a-dihydroindolo[2,3-a]carbazole.
What is the SMILES notation for 12-(7-dibenzofuran-4-yldibenzothiophen-3-yl)-11-phenyl-6a,11a-dihydroindolo[2,3-a]carbazole?
The canonical SMILES for 12-(7-dibenzofuran-4-yldibenzothiophen-3-yl)-11-phenyl-6a,11a-dihydroindolo[2,3-a]carbazole is C1=CC2c3ccccc3N(c3ccccc3)C2c2c1c1ccccc1n2-c1ccc2c(c1)sc1cc(-c3cccc4c3oc3ccccc34)ccc12.
What is the InChIKey of 12-(7-dibenzofuran-4-yldibenzothiophen-3-yl)-11-phenyl-6a,11a-dihydroindolo[2,3-a]carbazole?
The InChIKey is LVVHPXBRKCTQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2OS/c1-2-11-30(12-3-1)49-41-18-7-4-13-33(41)38-25-26-39-34-14-5-8-19-42(34)50(47(39)46(38)49)31-22-24-37-36-23-21-29(27-44(36)52-45(37)28-31)32-16-10-17-40-35-15-6-9-20-43(35)51-48(32)40/h1-28,38,46H.
What are the key properties of 12-(7-dibenzofuran-4-yldibenzothiophen-3-yl)-11-phenyl-6a,11a-dihydroindolo[2,3-a]carbazole?
12-(7-dibenzofuran-4-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-(7-dibenzofuran-4-yldibenzothiophen-3-yl)-11-phenyl-6a,11a-dihydroindolo[2,3-a]carbazole is sourced from PubChem (CID 170279117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).