12-(8-dibenzofuran-3-yldibenzothiophen-3-yl)-5-phenylindolo[3,2-c]carbazole

C48H28N2OS — CID 170286797

IUPAC12-(8-dibenzofuran-3-yldibenzothiophen-3-yl)-5-phenylindolo[3,2-c]carbazole
SMILESc1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccc5c(c4)sc4ccc(-c6ccc7c(c6)oc6ccccc67)cc45)c23)cc1
InChIInChI=1S/C48H28N2OS/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/h1-28H
InChIKeyRMIQZIDVMVONHV-UHFFFAOYSA-N
MW680.83 g/mol
LogP13.82
Rot. Bonds3

About 12-(8-dibenzofuran-3-yldibenzothiophen-3-yl)-5-phenylindolo[3,2-c]carbazole

12-(8-dibenzofuran-3-yldibenzothiophen-3-yl)-5-phenylindolo[3,2-c]carbazole (PubChem CID 170286797) has the molecular formula C48H28N2OS and a molecular weight of 680.83 g/mol. Its IUPAC name is 12-(8-dibenzofuran-3-yldibenzothiophen-3-yl)-5-phenylindolo[3,2-c]carbazole.

Molecular Properties

Compound Name12-(8-dibenzofuran-3-yldibenzothiophen-3-yl)-5-phenylindolo[3,2-c]carbazole
PubChem CID170286797
Molecular FormulaC48H28N2OS
Molecular Weight680.83 g/mol
Exact Mass680.19
IUPAC Name12-(8-dibenzofuran-3-yldibenzothiophen-3-yl)-5-phenylindolo[3,2-c]carbazole
SMILESc1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccc5c(c4)sc4ccc(-c6ccc7c(c6)oc6ccccc67)cc45)c23)cc1
InChIInChI=1S/C48H28N2OS/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/h1-28H
InChIKeyRMIQZIDVMVONHV-UHFFFAOYSA-N
XLogP13.82
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.83
LogP ≤ 513.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
5-(3-dibenzothiophen-2-ylphenyl)-12-phenylindolo[3,2-c]carbazole
CID 118504656
12-phenyl-5-[3-[8-[8-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]dibenzothiophen-2-yl]dibenzothiophen-2-yl]phenyl]indolo[3,2-c]carbazole
CID 118041194
9-(7-dibenzofuran-3-yldibenzothiophen-2-yl)carbazole
CID 170278114
5-phenyl-12-[8-(5-phenylindolo[3,2-c]carbazol-12-yl)dibenzothiophen-2-yl]indolo[3,2-c]carbazole
CID 170394006
3-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]carbazol-3-yl]-9-phenylcarbazole;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-12-phenylindolo[3,2-c]carbazole
CID 159838737
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-dibenzothiophen-2-yl-5-[4-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598840
5-dibenzothiophen-2-yl-12-dibenzothiophen-3-ylindolo[3,2-c]carbazole
CID 170393793
12-dibenzofuran-3-yl-5-phenylindolo[3,2-c]carbazole;12-dibenzothiophen-4-yl-5-phenylindolo[3,2-c]carbazole
CID 164963553
3-[9-(10-oxa-20-thiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-7-yl)carbazol-3-yl]-9-phenylcarbazole
CID 142497124
14-(7-dibenzothiophen-2-yldibenzofuran-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 170688519

Frequently Asked Questions

What is the IUPAC name of 12-(8-dibenzofuran-3-yldibenzothiophen-3-yl)-5-phenylindolo[3,2-c]carbazole?
The IUPAC name of 12-(8-dibenzofuran-3-yldibenzothiophen-3-yl)-5-phenylindolo[3,2-c]carbazole (CID 170286797) is 12-(8-dibenzofuran-3-yldibenzothiophen-3-yl)-5-phenylindolo[3,2-c]carbazole.
What is the SMILES notation for 12-(8-dibenzofuran-3-yldibenzothiophen-3-yl)-5-phenylindolo[3,2-c]carbazole?
The canonical SMILES for 12-(8-dibenzofuran-3-yldibenzothiophen-3-yl)-5-phenylindolo[3,2-c]carbazole is c1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccc5c(c4)sc4ccc(-c6ccc7c(c6)oc6ccccc67)cc45)c23)cc1.
What is the InChIKey of 12-(8-dibenzofuran-3-yldibenzothiophen-3-yl)-5-phenylindolo[3,2-c]carbazole?
The InChIKey is RMIQZIDVMVONHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N2OS/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/h1-28H.
What are the key properties of 12-(8-dibenzofuran-3-yldibenzothiophen-3-yl)-5-phenylindolo[3,2-c]carbazole?
12-(8-dibenzofuran-3-yldibenzothiophen-3-yl)-5-phenylindolo[3,2-c]carbazole has a molecular weight of 680.83 g/mol, XLogP of 13.82, 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-phenylindolo[3,2-c]carbazole is sourced from PubChem (CID 170286797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).