1-[9-[4-(6,7-dihydrodibenzothiophen-4-yl)dibenzothiophen-2-yl]carbazol-2-yl]-9-phenylcarbazole

C54H34N2S2 — CID 170203697

IUPAC1-[9-[4-(6,7-dihydrodibenzothiophen-4-yl)dibenzothiophen-2-yl]carbazol-2-yl]-9-phenylcarbazole
SMILESC1=Cc2c(sc3c(-c4cc(-n5c6ccccc6c6ccc(-c7cccc8c9ccccc9n(-c9ccccc9)c78)cc65)cc5c4sc4ccccc45)cccc23)CC1
InChIInChI=1S/C54H34N2S2/c1-2-14-34(15-3-1)56-48-25-9-5-17-38(48)42-21-12-20-36(52(42)56)33-28-29-39-37-16-4-8-24-47(37)55(49(39)30-33)35-31-45-41-19-7-11-27-51(41)58-54(45)46(32-35)44-23-13-22-43-40-18-6-10-26-50(40)57-53(43)44/h1-9,11-25,27-32H,10,26H2
InChIKeyUOUUSDFTYXKODL-UHFFFAOYSA-N
MW775.01 g/mol
LogP15.76
Rot. Bonds4

About 1-[9-[4-(6,7-dihydrodibenzothiophen-4-yl)dibenzothiophen-2-yl]carbazol-2-yl]-9-phenylcarbazole

1-[9-[4-(6,7-dihydrodibenzothiophen-4-yl)dibenzothiophen-2-yl]carbazol-2-yl]-9-phenylcarbazole (PubChem CID 170203697) has the molecular formula C54H34N2S2 and a molecular weight of 775.01 g/mol. Its IUPAC name is 1-[9-[4-(6,7-dihydrodibenzothiophen-4-yl)dibenzothiophen-2-yl]carbazol-2-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name1-[9-[4-(6,7-dihydrodibenzothiophen-4-yl)dibenzothiophen-2-yl]carbazol-2-yl]-9-phenylcarbazole
PubChem CID170203697
Molecular FormulaC54H34N2S2
Molecular Weight775.01 g/mol
Exact Mass774.22
IUPAC Name1-[9-[4-(6,7-dihydrodibenzothiophen-4-yl)dibenzothiophen-2-yl]carbazol-2-yl]-9-phenylcarbazole
SMILESC1=Cc2c(sc3c(-c4cc(-n5c6ccccc6c6ccc(-c7cccc8c9ccccc9n(-c9ccccc9)c78)cc65)cc5c4sc4ccccc45)cccc23)CC1
InChIInChI=1S/C54H34N2S2/c1-2-14-34(15-3-1)56-48-25-9-5-17-38(48)42-21-12-20-36(52(42)56)33-28-29-39-37-16-4-8-24-47(37)55(49(39)30-33)35-31-45-41-19-7-11-27-51(41)58-54(45)46(32-35)44-23-13-22-43-40-18-6-10-26-50(40)57-53(43)44/h1-9,11-25,27-32H,10,26H2
InChIKeyUOUUSDFTYXKODL-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

1-[9-(4-dibenzofuran-4-yldibenzothiophen-2-yl)carbazol-2-yl]-9-phenylcarbazole
CID 130265990
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
3-[9-(4-dibenzofuran-4-yldibenzothiophen-2-yl)-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 170203450
1-dibenzothiophen-4-yl-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 121323828
2-dibenzothiophen-4-yl-9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 129087238
1-[9-(4-dibenzofuran-2-yldibenzothiophen-2-yl)carbazol-4-yl]-9-phenylcarbazole
CID 130265326
4-(9-phenylcarbazol-2-yl)-9-[4-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole;4-(9-phenylcarbazol-2-yl)-9-[4-(4-phenylphenyl)dibenzothiophen-2-yl]carbazole
CID 157394578
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-2-naphthalen-1-ylcarbazole
CID 130265385
12-(7-dibenzothiophen-4-yl-9H-fluoren-3-yl)-11-phenylindolo[2,3-a]carbazole
CID 170284179
10-phenyl-9-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-b]indole
CID 164827876
2-[9-[4-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-yl]carbazol-3-yl]-9-phenylcarbazole
CID 130264768
9-phenyl-3-[10-[7-[10-(9-phenylcarbazol-3-yl)anthracen-9-yl]dibenzothiophen-4-yl]-1,2-dihydroanthracen-9-yl]carbazole
CID 166689866

Frequently Asked Questions

What is the IUPAC name of 1-[9-[4-(6,7-dihydrodibenzothiophen-4-yl)dibenzothiophen-2-yl]carbazol-2-yl]-9-phenylcarbazole?
The IUPAC name of 1-[9-[4-(6,7-dihydrodibenzothiophen-4-yl)dibenzothiophen-2-yl]carbazol-2-yl]-9-phenylcarbazole (CID 170203697) is 1-[9-[4-(6,7-dihydrodibenzothiophen-4-yl)dibenzothiophen-2-yl]carbazol-2-yl]-9-phenylcarbazole.
What is the SMILES notation for 1-[9-[4-(6,7-dihydrodibenzothiophen-4-yl)dibenzothiophen-2-yl]carbazol-2-yl]-9-phenylcarbazole?
The canonical SMILES for 1-[9-[4-(6,7-dihydrodibenzothiophen-4-yl)dibenzothiophen-2-yl]carbazol-2-yl]-9-phenylcarbazole is C1=Cc2c(sc3c(-c4cc(-n5c6ccccc6c6ccc(-c7cccc8c9ccccc9n(-c9ccccc9)c78)cc65)cc5c4sc4ccccc45)cccc23)CC1.
What is the InChIKey of 1-[9-[4-(6,7-dihydrodibenzothiophen-4-yl)dibenzothiophen-2-yl]carbazol-2-yl]-9-phenylcarbazole?
The InChIKey is UOUUSDFTYXKODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2S2/c1-2-14-34(15-3-1)56-48-25-9-5-17-38(48)42-21-12-20-36(52(42)56)33-28-29-39-37-16-4-8-24-47(37)55(49(39)30-33)35-31-45-41-19-7-11-27-51(41)58-54(45)46(32-35)44-23-13-22-43-40-18-6-10-26-50(40)57-53(43)44/h1-9,11-25,27-32H,10,26H2.
What are the key properties of 1-[9-[4-(6,7-dihydrodibenzothiophen-4-yl)dibenzothiophen-2-yl]carbazol-2-yl]-9-phenylcarbazole?
1-[9-[4-(6,7-dihydrodibenzothiophen-4-yl)dibenzothiophen-2-yl]carbazol-2-yl]-9-phenylcarbazole 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 1-[9-[4-(6,7-dihydrodibenzothiophen-4-yl)dibenzothiophen-2-yl]carbazol-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 170203697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).