9-[8-(2-pyridin-2-ylphenyl)dibenzofuran-2-yl]-3-[8-(2-pyridin-2-ylphenyl)-1,2-dihydrodibenzothiophen-2-yl]carbazole

C58H37N3OS — CID 163672058

IUPAC9-[8-(2-pyridin-2-ylphenyl)dibenzofuran-2-yl]-3-[8-(2-pyridin-2-ylphenyl)-1,2-dihydrodibenzothiophen-2-yl]carbazole
SMILESC1=CC(c2ccc3c(c2)c2ccccc2n3-c2ccc3oc4ccc(-c5ccccc5-c5ccccn5)cc4c3c2)Cc2c1sc1ccc(-c3ccccc3-c3ccccn3)cc21
InChIInChI=1S/C58H37N3OS/c1-3-13-43(51-16-7-9-29-59-51)41(11-1)38-20-25-55-47(33-38)48-35-40(23-26-56(48)62-55)61-53-18-6-5-15-45(53)46-31-36(19-24-54(46)61)37-21-27-57-49(32-37)50-34-39(22-28-58(50)63-57)42-12-2-4-14-44(42)52-17-8-10-30-60-52/h1-31,33-35,37H,32H2
InChIKeyJDKHLUBWMCFVEM-UHFFFAOYSA-N
MW824.02 g/mol
LogP15.71
Rot. Bonds6

About 9-[8-(2-pyridin-2-ylphenyl)dibenzofuran-2-yl]-3-[8-(2-pyridin-2-ylphenyl)-1,2-dihydrodibenzothiophen-2-yl]carbazole

9-[8-(2-pyridin-2-ylphenyl)dibenzofuran-2-yl]-3-[8-(2-pyridin-2-ylphenyl)-1,2-dihydrodibenzothiophen-2-yl]carbazole (PubChem CID 163672058) has the molecular formula C58H37N3OS and a molecular weight of 824.02 g/mol. Its IUPAC name is 9-[8-(2-pyridin-2-ylphenyl)dibenzofuran-2-yl]-3-[8-(2-pyridin-2-ylphenyl)-1,2-dihydrodibenzothiophen-2-yl]carbazole.

Molecular Properties

Compound Name9-[8-(2-pyridin-2-ylphenyl)dibenzofuran-2-yl]-3-[8-(2-pyridin-2-ylphenyl)-1,2-dihydrodibenzothiophen-2-yl]carbazole
PubChem CID163672058
Molecular FormulaC58H37N3OS
Molecular Weight824.02 g/mol
Exact Mass823.27
IUPAC Name9-[8-(2-pyridin-2-ylphenyl)dibenzofuran-2-yl]-3-[8-(2-pyridin-2-ylphenyl)-1,2-dihydrodibenzothiophen-2-yl]carbazole
SMILESC1=CC(c2ccc3c(c2)c2ccccc2n3-c2ccc3oc4ccc(-c5ccccc5-c5ccccn5)cc4c3c2)Cc2c1sc1ccc(-c3ccccc3-c3ccccn3)cc21
InChIInChI=1S/C58H37N3OS/c1-3-13-43(51-16-7-9-29-59-51)41(11-1)38-20-25-55-47(33-38)48-35-40(23-26-56(48)62-55)61-53-18-6-5-15-45(53)46-31-36(19-24-54(46)61)37-21-27-57-49(32-37)50-34-39(22-28-58(50)63-57)42-12-2-4-14-44(42)52-17-8-10-30-60-52/h1-31,33-35,37H,32H2
InChIKeyJDKHLUBWMCFVEM-UHFFFAOYSA-N
XLogP15.71
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500824.02
LogP ≤ 515.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-[5-(2-dibenzofuran-4-ylethyl)-7-methyl-8-[(Z)-prop-1-enyl]naphthalen-1-yl]-5-dibenzothiophen-4-ylphenyl]-9-phenylcarbazole
CID 129225547
4-[3-(9-dibenzofuran-2-ylcarbazol-2-yl)-5-dibenzothiophen-4-ylphenyl]-9-[(2E,4E)-5-phenylhexa-2,4-dien-3-yl]carbazole
CID 129225641
11-Phenyl-8-(11-phenyl-[1]benzothiolo[3,2-b]carbazol-9-yl)-[1]benzofuro[3,2-b]carbazole
CID 134223348
11-Phenyl-8-(5-phenyl-[1]benzothiolo[2,3-g]carbazol-3-yl)-[1]benzofuro[3,2-b]carbazole
CID 134223351
11-Phenyl-9-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-10-yl)-[1]benzofuro[3,2-b]carbazole
CID 134223367
11-Phenyl-9-(14-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-18-yl)-[1]benzofuro[3,2-b]carbazole
CID 134223370
11-Phenyl-9-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)-[1]benzofuro[3,2-b]carbazole
CID 134223376
7-Phenyl-10-(14-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-18-yl)-[1]benzofuro[2,3-b]carbazole
CID 134223380
5-Phenyl-2-(14-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-[1]benzofuro[3,2-c]carbazole
CID 134223395
14-Phenyl-18-(14-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
CID 134223396
7-Phenyl-2-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole
CID 134223424
7-Phenyl-10-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-2-yl)-[1]benzofuro[2,3-b]carbazole
CID 134223427

Frequently Asked Questions

What is the IUPAC name of 9-[8-(2-pyridin-2-ylphenyl)dibenzofuran-2-yl]-3-[8-(2-pyridin-2-ylphenyl)-1,2-dihydrodibenzothiophen-2-yl]carbazole?
The IUPAC name of 9-[8-(2-pyridin-2-ylphenyl)dibenzofuran-2-yl]-3-[8-(2-pyridin-2-ylphenyl)-1,2-dihydrodibenzothiophen-2-yl]carbazole (CID 163672058) is 9-[8-(2-pyridin-2-ylphenyl)dibenzofuran-2-yl]-3-[8-(2-pyridin-2-ylphenyl)-1,2-dihydrodibenzothiophen-2-yl]carbazole.
What is the SMILES notation for 9-[8-(2-pyridin-2-ylphenyl)dibenzofuran-2-yl]-3-[8-(2-pyridin-2-ylphenyl)-1,2-dihydrodibenzothiophen-2-yl]carbazole?
The canonical SMILES for 9-[8-(2-pyridin-2-ylphenyl)dibenzofuran-2-yl]-3-[8-(2-pyridin-2-ylphenyl)-1,2-dihydrodibenzothiophen-2-yl]carbazole is C1=CC(c2ccc3c(c2)c2ccccc2n3-c2ccc3oc4ccc(-c5ccccc5-c5ccccn5)cc4c3c2)Cc2c1sc1ccc(-c3ccccc3-c3ccccn3)cc21.
What is the InChIKey of 9-[8-(2-pyridin-2-ylphenyl)dibenzofuran-2-yl]-3-[8-(2-pyridin-2-ylphenyl)-1,2-dihydrodibenzothiophen-2-yl]carbazole?
The InChIKey is JDKHLUBWMCFVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37N3OS/c1-3-13-43(51-16-7-9-29-59-51)41(11-1)38-20-25-55-47(33-38)48-35-40(23-26-56(48)62-55)61-53-18-6-5-15-45(53)46-31-36(19-24-54(46)61)37-21-27-57-49(32-37)50-34-39(22-28-58(50)63-57)42-12-2-4-14-44(42)52-17-8-10-30-60-52/h1-31,33-35,37H,32H2.
What are the key properties of 9-[8-(2-pyridin-2-ylphenyl)dibenzofuran-2-yl]-3-[8-(2-pyridin-2-ylphenyl)-1,2-dihydrodibenzothiophen-2-yl]carbazole?
9-[8-(2-pyridin-2-ylphenyl)dibenzofuran-2-yl]-3-[8-(2-pyridin-2-ylphenyl)-1,2-dihydrodibenzothiophen-2-yl]carbazole has a molecular weight of 824.02 g/mol, XLogP of 15.71, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[8-(2-pyridin-2-ylphenyl)dibenzofuran-2-yl]-3-[8-(2-pyridin-2-ylphenyl)-1,2-dihydrodibenzothiophen-2-yl]carbazole is sourced from PubChem (CID 163672058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).