12-(8-dibenzofuran-3-yldibenzothiophen-3-yl)-5-phenyl-7a,12a-dihydroindolo[3,2-c]carbazole

C48H30N2OS — CID 170278594

IUPAC12-(8-dibenzofuran-3-yldibenzothiophen-3-yl)-5-phenyl-7a,12a-dihydroindolo[3,2-c]carbazole
SMILESC1=CC2c3ccccc3N(c3ccc4c(c3)sc3ccc(-c5ccc6c(c5)oc5ccccc56)cc34)C2c2c1n(-c1ccccc1)c1ccccc21
InChIInChI=1S/C48H30N2OS/c1-2-10-31(11-3-1)49-41-16-8-5-14-38(41)47-42(49)24-23-37-33-12-4-7-15-40(33)50(48(37)47)32-20-22-36-39-26-29(19-25-45(39)52-46(36)28-32)30-18-21-35-34-13-6-9-17-43(34)51-44(35)27-30/h1-28,37,48H
InChIKeyNMMAEAXLHNWBBA-UHFFFAOYSA-N
MW682.85 g/mol
LogP13.57
Rot. Bonds3

About 12-(8-dibenzofuran-3-yldibenzothiophen-3-yl)-5-phenyl-7a,12a-dihydroindolo[3,2-c]carbazole

12-(8-dibenzofuran-3-yldibenzothiophen-3-yl)-5-phenyl-7a,12a-dihydroindolo[3,2-c]carbazole (PubChem CID 170278594) has the molecular formula C48H30N2OS and a molecular weight of 682.85 g/mol. Its IUPAC name is 12-(8-dibenzofuran-3-yldibenzothiophen-3-yl)-5-phenyl-7a,12a-dihydroindolo[3,2-c]carbazole.

Molecular Properties

Compound Name12-(8-dibenzofuran-3-yldibenzothiophen-3-yl)-5-phenyl-7a,12a-dihydroindolo[3,2-c]carbazole
PubChem CID170278594
Molecular FormulaC48H30N2OS
Molecular Weight682.85 g/mol
Exact Mass682.21
IUPAC Name12-(8-dibenzofuran-3-yldibenzothiophen-3-yl)-5-phenyl-7a,12a-dihydroindolo[3,2-c]carbazole
SMILESC1=CC2c3ccccc3N(c3ccc4c(c3)sc3ccc(-c5ccc6c(c5)oc5ccccc56)cc34)C2c2c1n(-c1ccccc1)c1ccccc21
InChIInChI=1S/C48H30N2OS/c1-2-10-31(11-3-1)49-41-16-8-5-14-38(41)47-42(49)24-23-37-33-12-4-7-15-40(33)50(48(37)47)32-20-22-36-39-26-29(19-25-45(39)52-46(36)28-32)30-18-21-35-34-13-6-9-17-43(34)51-44(35)27-30/h1-28,37,48H
InChIKeyNMMAEAXLHNWBBA-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

9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole;9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole
CID 163768613
12-(7-dibenzofuran-4-yldibenzothiophen-3-yl)-11-phenyl-6a,11a-dihydroindolo[2,3-a]carbazole
CID 170279117
12-(8-dibenzofuran-3-yldibenzothiophen-3-yl)-5-phenylindolo[3,2-c]carbazole
CID 170286797
9-(7-dibenzofuran-3-yldibenzothiophen-2-yl)carbazole
CID 170278114
12-(9-dibenzofuran-1-yldibenzothiophen-3-yl)-11-phenyl-6a,11a-dihydroindolo[2,3-a]carbazole
CID 170287498
9-[8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzothiophen-3-yl]carbazole
CID 169011633
3-(7-chlorodibenzothiophen-2-yl)dibenzofuran;7-chloro-2-dibenzothiophen-3-yldibenzothiophene;2-(7-chlorodibenzothiophen-2-yl)-9-phenylcarbazole;2-[7-(4-chlorophenyl)dibenzothiophen-2-yl]-9-phenylcarbazole
CID 160880322
3-dibenzofuran-2-yl-6-dibenzothiophen-2-yl-9-phenylcarbazole
CID 122451698
9-dibenzofuran-2-yl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-dibenzothiophen-2-yl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;3,6,9-tris(9-phenylcarbazol-3-yl)carbazole
CID 161382413
12-dibenzofuran-3-yl-11-phenylindolo[2,3-a]carbazole;12-dibenzothiophen-2-yl-11-phenylindolo[2,3-a]carbazole;12-dibenzothiophen-3-yl-11-phenylindolo[2,3-a]carbazole
CID 158708574
3-dibenzofuran-2-yl-9-phenylcarbazole;3-dibenzothiophen-2-yl-9-phenylcarbazole;3-dibenzothiophen-2-yl-9-(4-phenylphenyl)carbazole
CID 160651391
9-[7-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzothiophen-2-yl]carbazole
CID 169010720

Frequently Asked Questions

What is the IUPAC name of 12-(8-dibenzofuran-3-yldibenzothiophen-3-yl)-5-phenyl-7a,12a-dihydroindolo[3,2-c]carbazole?
The IUPAC name of 12-(8-dibenzofuran-3-yldibenzothiophen-3-yl)-5-phenyl-7a,12a-dihydroindolo[3,2-c]carbazole (CID 170278594) is 12-(8-dibenzofuran-3-yldibenzothiophen-3-yl)-5-phenyl-7a,12a-dihydroindolo[3,2-c]carbazole.
What is the SMILES notation for 12-(8-dibenzofuran-3-yldibenzothiophen-3-yl)-5-phenyl-7a,12a-dihydroindolo[3,2-c]carbazole?
The canonical SMILES for 12-(8-dibenzofuran-3-yldibenzothiophen-3-yl)-5-phenyl-7a,12a-dihydroindolo[3,2-c]carbazole is C1=CC2c3ccccc3N(c3ccc4c(c3)sc3ccc(-c5ccc6c(c5)oc5ccccc56)cc34)C2c2c1n(-c1ccccc1)c1ccccc21.
What is the InChIKey of 12-(8-dibenzofuran-3-yldibenzothiophen-3-yl)-5-phenyl-7a,12a-dihydroindolo[3,2-c]carbazole?
The InChIKey is NMMAEAXLHNWBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2OS/c1-2-10-31(11-3-1)49-41-16-8-5-14-38(41)47-42(49)24-23-37-33-12-4-7-15-40(33)50(48(37)47)32-20-22-36-39-26-29(19-25-45(39)52-46(36)28-32)30-18-21-35-34-13-6-9-17-43(34)51-44(35)27-30/h1-28,37,48H.
What are the key properties of 12-(8-dibenzofuran-3-yldibenzothiophen-3-yl)-5-phenyl-7a,12a-dihydroindolo[3,2-c]carbazole?
12-(8-dibenzofuran-3-yldibenzothiophen-3-yl)-5-phenyl-7a,12a-dihydroindolo[3,2-c]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-(8-dibenzofuran-3-yldibenzothiophen-3-yl)-5-phenyl-7a,12a-dihydroindolo[3,2-c]carbazole is sourced from PubChem (CID 170278594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).