9-(8-dibenzofuran-2-yl-6-phenyldibenzothiophen-4-yl)-2-phenylcarbazole

C48H29NOS — CID 147837275

IUPAC9-(8-dibenzofuran-2-yl-6-phenyldibenzothiophen-4-yl)-2-phenylcarbazole
SMILESc1ccc(-c2ccc3c4ccccc4n(-c4cccc5c4sc4c(-c6ccccc6)cc(-c6ccc7oc8ccccc8c7c6)cc45)c3c2)cc1
InChIInChI=1S/C48H29NOS/c1-3-12-30(13-4-1)33-22-24-36-35-16-7-9-19-42(35)49(44(36)29-33)43-20-11-18-38-41-28-34(27-39(47(41)51-48(38)43)31-14-5-2-6-15-31)32-23-25-46-40(26-32)37-17-8-10-21-45(37)50-46/h1-29H
InChIKeyHSGQOYWQDFTOLR-UHFFFAOYSA-N
MW667.83 g/mol
LogP14.05
Rot. Bonds4

About 9-(8-dibenzofuran-2-yl-6-phenyldibenzothiophen-4-yl)-2-phenylcarbazole

9-(8-dibenzofuran-2-yl-6-phenyldibenzothiophen-4-yl)-2-phenylcarbazole (PubChem CID 147837275) has the molecular formula C48H29NOS and a molecular weight of 667.83 g/mol. Its IUPAC name is 9-(8-dibenzofuran-2-yl-6-phenyldibenzothiophen-4-yl)-2-phenylcarbazole.

Molecular Properties

Compound Name9-(8-dibenzofuran-2-yl-6-phenyldibenzothiophen-4-yl)-2-phenylcarbazole
PubChem CID147837275
Molecular FormulaC48H29NOS
Molecular Weight667.83 g/mol
Exact Mass667.20
IUPAC Name9-(8-dibenzofuran-2-yl-6-phenyldibenzothiophen-4-yl)-2-phenylcarbazole
SMILESc1ccc(-c2ccc3c4ccccc4n(-c4cccc5c4sc4c(-c6ccccc6)cc(-c6ccc7oc8ccccc8c7c6)cc45)c3c2)cc1
InChIInChI=1S/C48H29NOS/c1-3-12-30(13-4-1)33-22-24-36-35-16-7-9-19-42(35)49(44(36)29-33)43-20-11-18-38-41-28-34(27-39(47(41)51-48(38)43)31-14-5-2-6-15-31)32-23-25-46-40(26-32)37-17-8-10-21-45(37)50-46/h1-29H
InChIKeyHSGQOYWQDFTOLR-UHFFFAOYSA-N
XLogP14.05
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.83
LogP ≤ 514.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-(8-dibenzofuran-4-yl-6-phenyldibenzothiophen-4-yl)carbazole
CID 147146707
9-[2-[4-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]-2,7-diphenylcarbazole
CID 163423190
9-(9-dibenzofuran-2-yl-6-phenyldibenzothiophen-4-yl)carbazole-2-carbonitrile
CID 147486433
11-(4-dibenzofuran-2-ylphenyl)-4-phenyl-[1]benzothiolo[3,2-b]carbazole
CID 90050891
3-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-9-phenylcarbazole
CID 164950924
3-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole;3-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]carbazole
CID 159600279
3-(9-dibenzofuran-3-ylcarbazol-3-yl)-9-(2-phenylphenyl)carbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 167557887
9-dibenzofuran-4-yl-6-dibenzothiophen-4-yl-2-phenylcarbazole
CID 163656757
9-phenyl-3-[8-(4-phenyldibenzothiophen-2-yl)dibenzofuran-2-yl]carbazole
CID 164838503
3,6-bis(9-phenylcarbazol-3-yl)-9-(6-phenyldibenzothiophen-4-yl)carbazole
CID 88594595
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-3-amine
CID 168814275
9-(8-dibenzofuran-3-yldibenzofuran-4-yl)-3-phenylcarbazole
CID 147201109

Frequently Asked Questions

What is the IUPAC name of 9-(8-dibenzofuran-2-yl-6-phenyldibenzothiophen-4-yl)-2-phenylcarbazole?
The IUPAC name of 9-(8-dibenzofuran-2-yl-6-phenyldibenzothiophen-4-yl)-2-phenylcarbazole (CID 147837275) is 9-(8-dibenzofuran-2-yl-6-phenyldibenzothiophen-4-yl)-2-phenylcarbazole.
What is the SMILES notation for 9-(8-dibenzofuran-2-yl-6-phenyldibenzothiophen-4-yl)-2-phenylcarbazole?
The canonical SMILES for 9-(8-dibenzofuran-2-yl-6-phenyldibenzothiophen-4-yl)-2-phenylcarbazole is c1ccc(-c2ccc3c4ccccc4n(-c4cccc5c4sc4c(-c6ccccc6)cc(-c6ccc7oc8ccccc8c7c6)cc45)c3c2)cc1.
What is the InChIKey of 9-(8-dibenzofuran-2-yl-6-phenyldibenzothiophen-4-yl)-2-phenylcarbazole?
The InChIKey is HSGQOYWQDFTOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29NOS/c1-3-12-30(13-4-1)33-22-24-36-35-16-7-9-19-42(35)49(44(36)29-33)43-20-11-18-38-41-28-34(27-39(47(41)51-48(38)43)31-14-5-2-6-15-31)32-23-25-46-40(26-32)37-17-8-10-21-45(37)50-46/h1-29H.
What are the key properties of 9-(8-dibenzofuran-2-yl-6-phenyldibenzothiophen-4-yl)-2-phenylcarbazole?
9-(8-dibenzofuran-2-yl-6-phenyldibenzothiophen-4-yl)-2-phenylcarbazole has a molecular weight of 667.83 g/mol, XLogP of 14.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(8-dibenzofuran-2-yl-6-phenyldibenzothiophen-4-yl)-2-phenylcarbazole is sourced from PubChem (CID 147837275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).