3-[9-(4-dibenzofuran-4-yldibenzothiophen-2-yl)-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole

C54H34N2OS — CID 170203450

IUPAC3-[9-(4-dibenzofuran-4-yldibenzothiophen-2-yl)-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole
SMILESC1=Cc2c(n(-c3cc(-c4cccc5c4oc4ccccc45)c4sc5ccccc5c4c3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc23)CC1
InChIInChI=1S/C54H34N2OS/c1-2-13-35(14-3-1)55-47-21-8-4-15-37(47)43-29-33(25-27-49(43)55)34-26-28-50-44(30-34)38-16-5-9-22-48(38)56(50)36-31-45-40-18-7-11-24-52(40)58-54(45)46(32-36)42-20-12-19-41-39-17-6-10-23-51(39)57-53(41)42/h1-8,10-21,23-32H,9,22H2
InChIKeyFFLSWIWAEJTLCZ-UHFFFAOYSA-N
MW758.95 g/mol
LogP15.29
Rot. Bonds4

About 3-[9-(4-dibenzofuran-4-yldibenzothiophen-2-yl)-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole

3-[9-(4-dibenzofuran-4-yldibenzothiophen-2-yl)-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole (PubChem CID 170203450) has the molecular formula C54H34N2OS and a molecular weight of 758.95 g/mol. Its IUPAC name is 3-[9-(4-dibenzofuran-4-yldibenzothiophen-2-yl)-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[9-(4-dibenzofuran-4-yldibenzothiophen-2-yl)-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole
PubChem CID170203450
Molecular FormulaC54H34N2OS
Molecular Weight758.95 g/mol
Exact Mass758.24
IUPAC Name3-[9-(4-dibenzofuran-4-yldibenzothiophen-2-yl)-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole
SMILESC1=Cc2c(n(-c3cc(-c4cccc5c4oc4ccccc45)c4sc5ccccc5c4c3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc23)CC1
InChIInChI=1S/C54H34N2OS/c1-2-13-35(14-3-1)55-47-21-8-4-15-37(47)43-29-33(25-27-49(43)55)34-26-28-50-44(30-34)38-16-5-9-22-48(38)56(50)36-31-45-40-18-7-11-24-52(40)58-54(45)46(32-36)42-20-12-19-41-39-17-6-10-23-51(39)57-53(41)42/h1-8,10-21,23-32H,9,22H2
InChIKeyFFLSWIWAEJTLCZ-UHFFFAOYSA-N
XLogP15.29
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500758.95
LogP ≤ 515.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-3-(1,2-dihydrocarbazol-9-yl)carbazole
CID 67121591
3-[2-(2-carbazol-9-yldibenzothiophen-4-yl)dibenzofuran-4-yl]-9-phenylcarbazole
CID 58059046
1-[9-(4-dibenzofuran-4-yldibenzothiophen-2-yl)carbazol-2-yl]-9-phenylcarbazole
CID 130265990
3-carbazol-9-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-(1,2-dihydrocarbazol-9-yl)carbazole
CID 67121653
2-dibenzofuran-4-yl-7-(4-dibenzothiophen-4-ylphenyl)-5-phenylindolo[2,3-b]carbazole
CID 126579968
2-dibenzofuran-4-yl-6-[3-methyl-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole;3-dibenzothiophen-4-yl-6-[3-methyl-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 165084340
6-(5-dibenzofuran-2-yl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl)-9-phenyl-1,2-dihydrocarbazole
CID 163554857
9-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-3,6-diphenylcarbazole
CID 146532883
2-dibenzothiophen-2-yl-6-tetraphenylen-2-yldibenzothiophene;2-dibenzothiophen-4-yl-6-tetraphenylen-2-yldibenzothiophene;9-phenyl-3-(6-tetraphenylen-2-yldibenzothiophen-2-yl)carbazole;2-(6-tetraphenylen-2-yldibenzothiophen-2-yl)dibenzofuran;4-(6-tetraphenylen-2-yldibenzothiophen-2-yl)dibenzofuran
CID 158156086
1-[9-[4-(6,7-dihydrodibenzothiophen-4-yl)dibenzothiophen-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 170203697
9-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-3-dibenzothiophen-2-ylcarbazole
CID 121449399
3-(9-dibenzofuran-1-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-[9-(4-phenyldibenzothiophen-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 163611477

Frequently Asked Questions

What is the IUPAC name of 3-[9-(4-dibenzofuran-4-yldibenzothiophen-2-yl)-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole?
The IUPAC name of 3-[9-(4-dibenzofuran-4-yldibenzothiophen-2-yl)-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole (CID 170203450) is 3-[9-(4-dibenzofuran-4-yldibenzothiophen-2-yl)-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[9-(4-dibenzofuran-4-yldibenzothiophen-2-yl)-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[9-(4-dibenzofuran-4-yldibenzothiophen-2-yl)-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole is C1=Cc2c(n(-c3cc(-c4cccc5c4oc4ccccc45)c4sc5ccccc5c4c3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc23)CC1.
What is the InChIKey of 3-[9-(4-dibenzofuran-4-yldibenzothiophen-2-yl)-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole?
The InChIKey is FFLSWIWAEJTLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2OS/c1-2-13-35(14-3-1)55-47-21-8-4-15-37(47)43-29-33(25-27-49(43)55)34-26-28-50-44(30-34)38-16-5-9-22-48(38)56(50)36-31-45-40-18-7-11-24-52(40)58-54(45)46(32-36)42-20-12-19-41-39-17-6-10-23-51(39)57-53(41)42/h1-8,10-21,23-32H,9,22H2.
What are the key properties of 3-[9-(4-dibenzofuran-4-yldibenzothiophen-2-yl)-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole?
3-[9-(4-dibenzofuran-4-yldibenzothiophen-2-yl)-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole has a molecular weight of 758.95 g/mol, XLogP of 15.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(4-dibenzofuran-4-yldibenzothiophen-2-yl)-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 170203450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).