4-dibenzothiophen-1-yl-9-[3-[4-(6,7-dihydrodibenzothiophen-1-yl)carbazol-9-yl]phenyl]carbazole

C54H34N2S2 — CID 163518743

IUPAC4-dibenzothiophen-1-yl-9-[3-[4-(6,7-dihydrodibenzothiophen-1-yl)carbazol-9-yl]phenyl]carbazole
SMILESC1=Cc2c(sc3cccc(-c4cccc5c4c4ccccc4n5-c4cccc(-n5c6ccccc6c6c(-c7cccc8sc9ccccc9c78)cccc65)c4)c23)CC1
InChIInChI=1S/C54H34N2S2/c1-5-24-43-39(16-1)51-35(37-22-12-30-49-53(37)41-18-3-7-28-47(41)57-49)20-10-26-45(51)55(43)33-14-9-15-34(32-33)56-44-25-6-2-17-40(44)52-36(21-11-27-46(52)56)38-23-13-31-50-54(38)42-19-4-8-29-48(42)58-50/h1-7,9-28,30-32H,8,29H2
InChIKeyDIZCUZBGZGTPNO-UHFFFAOYSA-N
MW775.01 g/mol
LogP15.76
Rot. Bonds4

About 4-dibenzothiophen-1-yl-9-[3-[4-(6,7-dihydrodibenzothiophen-1-yl)carbazol-9-yl]phenyl]carbazole

4-dibenzothiophen-1-yl-9-[3-[4-(6,7-dihydrodibenzothiophen-1-yl)carbazol-9-yl]phenyl]carbazole (PubChem CID 163518743) has the molecular formula C54H34N2S2 and a molecular weight of 775.01 g/mol. Its IUPAC name is 4-dibenzothiophen-1-yl-9-[3-[4-(6,7-dihydrodibenzothiophen-1-yl)carbazol-9-yl]phenyl]carbazole.

Molecular Properties

Compound Name4-dibenzothiophen-1-yl-9-[3-[4-(6,7-dihydrodibenzothiophen-1-yl)carbazol-9-yl]phenyl]carbazole
PubChem CID163518743
Molecular FormulaC54H34N2S2
Molecular Weight775.01 g/mol
Exact Mass774.22
IUPAC Name4-dibenzothiophen-1-yl-9-[3-[4-(6,7-dihydrodibenzothiophen-1-yl)carbazol-9-yl]phenyl]carbazole
SMILESC1=Cc2c(sc3cccc(-c4cccc5c4c4ccccc4n5-c4cccc(-n5c6ccccc6c6c(-c7cccc8sc9ccccc9c78)cccc65)c4)c23)CC1
InChIInChI=1S/C54H34N2S2/c1-5-24-43-39(16-1)51-35(37-22-12-30-49-53(37)41-18-3-7-28-47(41)57-49)20-10-26-45(51)55(43)33-14-9-15-34(32-33)56-44-25-6-2-17-40(44)52-36(21-11-27-46(52)56)38-23-13-31-50-54(38)42-19-4-8-29-48(42)58-50/h1-7,9-28,30-32H,8,29H2
InChIKeyDIZCUZBGZGTPNO-UHFFFAOYSA-N
XLogP15.76
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500775.01
LogP ≤ 515.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-(6,7-dihydrodibenzothiophen-2-yl)-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 163755377
4-dibenzothiophen-1-yl-9-[3-(4-dibenzothiophen-1-ylcarbazol-9-yl)-5-(3,5-diphenylphenyl)phenyl]carbazole
CID 118262679
5-phenyl-10,11-dihydro-[1]benzothiolo[3,2-c]carbazole
CID 123696000
2-[9-(3-dibenzothiophen-1-ylphenyl)carbazol-4-yl]-9-phenylcarbazole
CID 166510074
9-dibenzothiophen-2-yl-4-(1,2-dihydrocarbazol-9-yl)carbazole
CID 137468008
2-[9-(4-dibenzothiophen-1-ylphenyl)carbazol-4-yl]-9-phenylcarbazole
CID 166510069
4-(24-dibenzothiophen-1-yl-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9,11,13,15,17,19,23,25-dodecaen-5-yl)-9-phenylcarbazole
CID 118860881
9-(4-dibenzothiophen-1-ylphenyl)-14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 166961071
2-[9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 166510060
2-[3-(6-carbazol-9-yl-9-phenylcarbazol-4-yl)phenyl]-4-phenyl-6,7-dihydro-[1]benzothiolo[3,2-d]pyrimidine
CID 123844288
5-(4-phenylphenyl)-10,11-dihydro-[1]benzothiolo[3,2-c]carbazole
CID 144884862
4-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 121244792

Frequently Asked Questions

What is the IUPAC name of 4-dibenzothiophen-1-yl-9-[3-[4-(6,7-dihydrodibenzothiophen-1-yl)carbazol-9-yl]phenyl]carbazole?
The IUPAC name of 4-dibenzothiophen-1-yl-9-[3-[4-(6,7-dihydrodibenzothiophen-1-yl)carbazol-9-yl]phenyl]carbazole (CID 163518743) is 4-dibenzothiophen-1-yl-9-[3-[4-(6,7-dihydrodibenzothiophen-1-yl)carbazol-9-yl]phenyl]carbazole.
What is the SMILES notation for 4-dibenzothiophen-1-yl-9-[3-[4-(6,7-dihydrodibenzothiophen-1-yl)carbazol-9-yl]phenyl]carbazole?
The canonical SMILES for 4-dibenzothiophen-1-yl-9-[3-[4-(6,7-dihydrodibenzothiophen-1-yl)carbazol-9-yl]phenyl]carbazole is C1=Cc2c(sc3cccc(-c4cccc5c4c4ccccc4n5-c4cccc(-n5c6ccccc6c6c(-c7cccc8sc9ccccc9c78)cccc65)c4)c23)CC1.
What is the InChIKey of 4-dibenzothiophen-1-yl-9-[3-[4-(6,7-dihydrodibenzothiophen-1-yl)carbazol-9-yl]phenyl]carbazole?
The InChIKey is DIZCUZBGZGTPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2S2/c1-5-24-43-39(16-1)51-35(37-22-12-30-49-53(37)41-18-3-7-28-47(41)57-49)20-10-26-45(51)55(43)33-14-9-15-34(32-33)56-44-25-6-2-17-40(44)52-36(21-11-27-46(52)56)38-23-13-31-50-54(38)42-19-4-8-29-48(42)58-50/h1-7,9-28,30-32H,8,29H2.
What are the key properties of 4-dibenzothiophen-1-yl-9-[3-[4-(6,7-dihydrodibenzothiophen-1-yl)carbazol-9-yl]phenyl]carbazole?
4-dibenzothiophen-1-yl-9-[3-[4-(6,7-dihydrodibenzothiophen-1-yl)carbazol-9-yl]phenyl]carbazole has a molecular weight of 775.01 g/mol, XLogP of 15.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzothiophen-1-yl-9-[3-[4-(6,7-dihydrodibenzothiophen-1-yl)carbazol-9-yl]phenyl]carbazole is sourced from PubChem (CID 163518743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).