4-[3-(9-dibenzofuran-4-ylcarbazol-4-yl)-5-dibenzothiophen-4-ylphenyl]-9-phenylcarbazole

C60H36N2OS — CID 140922485

IUPAC4-[3-(9-dibenzofuran-4-ylcarbazol-4-yl)-5-dibenzothiophen-4-ylphenyl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3c(-c4cc(-c5cccc6c5sc5ccccc56)cc(-c5cccc6c5c5ccccc5n6-c5cccc6c5oc5ccccc56)c4)cccc32)cc1
InChIInChI=1S/C60H36N2OS/c1-2-16-40(17-3-1)61-50-27-8-4-20-48(50)57-41(22-13-29-52(57)61)37-34-38(36-39(35-37)43-24-12-26-47-45-19-7-11-33-56(45)64-60(43)47)42-23-14-30-53-58(42)49-21-5-9-28-51(49)62(53)54-31-15-25-46-44-18-6-10-32-55(44)63-59(46)54/h1-36H
InChIKeyLBPCEXAINPHAJW-UHFFFAOYSA-N
MW833.03 g/mol
LogP17.15
Rot. Bonds5

About 4-[3-(9-dibenzofuran-4-ylcarbazol-4-yl)-5-dibenzothiophen-4-ylphenyl]-9-phenylcarbazole

4-[3-(9-dibenzofuran-4-ylcarbazol-4-yl)-5-dibenzothiophen-4-ylphenyl]-9-phenylcarbazole (PubChem CID 140922485) has the molecular formula C60H36N2OS and a molecular weight of 833.03 g/mol. Its IUPAC name is 4-[3-(9-dibenzofuran-4-ylcarbazol-4-yl)-5-dibenzothiophen-4-ylphenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name4-[3-(9-dibenzofuran-4-ylcarbazol-4-yl)-5-dibenzothiophen-4-ylphenyl]-9-phenylcarbazole
PubChem CID140922485
Molecular FormulaC60H36N2OS
Molecular Weight833.03 g/mol
Exact Mass832.25
IUPAC Name4-[3-(9-dibenzofuran-4-ylcarbazol-4-yl)-5-dibenzothiophen-4-ylphenyl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3c(-c4cc(-c5cccc6c5sc5ccccc56)cc(-c5cccc6c5c5ccccc5n6-c5cccc6c5oc5ccccc56)c4)cccc32)cc1
InChIInChI=1S/C60H36N2OS/c1-2-16-40(17-3-1)61-50-27-8-4-20-48(50)57-41(22-13-29-52(57)61)37-34-38(36-39(35-37)43-24-12-26-47-45-19-7-11-33-56(45)64-60(43)47)42-23-14-30-53-58(42)49-21-5-9-28-51(49)62(53)54-31-15-25-46-44-18-6-10-32-55(44)63-59(46)54/h1-36H
InChIKeyLBPCEXAINPHAJW-UHFFFAOYSA-N
XLogP17.15
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500833.03
LogP ≤ 517.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-dibenzofuran-4-yl-14-phenyl-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;9-(4-dibenzofuran-4-ylphenyl)-14-phenyl-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;5-dibenzothiophen-4-yl-7-phenylindolo[2,3-b]carbazole;5-(4-dibenzothiophen-4-ylphenyl)-7-phenylindolo[2,3-b]carbazole
CID 160649083
9-dibenzofuran-4-yl-3-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)carbazole;3-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-9-phenylcarbazole;9-[4-[3-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]phenyl]carbazole
CID 165067724
3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-phenylcarbazole
CID 159781262
9-dibenzofuran-4-yl-3-(9,20-dithiapentacyclo[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)carbazole;3-[4-(9,20-dithiapentacyclo[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;9-[4-[3-(9,20-dithiapentacyclo[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]phenyl]carbazole
CID 164982315
5-(4-dibenzofuran-4-ylphenyl)-3-phenyl-[1]benzofuro[3,2-c]carbazole;5-(4-dibenzothiophen-4-ylphenyl)-3-phenyl-[1]benzofuro[3,2-c]carbazole;3-phenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 159515126
5-dibenzofuran-4-yl-2-phenyl-[1]benzofuro[3,2-c]carbazole;5-dibenzothiophen-4-yl-3-phenyl-[1]benzofuro[3,2-c]carbazole;5-(6,9-diphenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole;3-phenyl-5-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 158788066
2-dibenzofuran-4-yl-7-(4-dibenzothiophen-4-ylphenyl)-5-phenylindolo[2,3-b]carbazole
CID 126579968
12-(7-dibenzothiophen-4-yldibenzofuran-4-yl)-[1]benzofuro[3,2-a]carbazole
CID 170277042
9-dibenzofuran-4-yl-6-dibenzothiophen-4-yl-2-phenylcarbazole
CID 163656757
9-dibenzofuran-4-yl-3-(3-triphenylen-2-ylphenyl)carbazole;9-dibenzothiophen-2-yl-3-(3-triphenylen-2-ylphenyl)carbazole;9-dibenzothiophen-4-yl-3-(3-triphenylen-2-ylphenyl)carbazole;9-phenyl-3-[3-(3-triphenylen-2-ylphenyl)carbazol-9-yl]carbazole
CID 158857501
4-(9-phenylcarbazol-4-yl)-9-(2-phenyldibenzofuran-4-yl)carbazole
CID 167201246
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;9-[2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]carbazole
CID 158185166

Frequently Asked Questions

What is the IUPAC name of 4-[3-(9-dibenzofuran-4-ylcarbazol-4-yl)-5-dibenzothiophen-4-ylphenyl]-9-phenylcarbazole?
The IUPAC name of 4-[3-(9-dibenzofuran-4-ylcarbazol-4-yl)-5-dibenzothiophen-4-ylphenyl]-9-phenylcarbazole (CID 140922485) is 4-[3-(9-dibenzofuran-4-ylcarbazol-4-yl)-5-dibenzothiophen-4-ylphenyl]-9-phenylcarbazole.
What is the SMILES notation for 4-[3-(9-dibenzofuran-4-ylcarbazol-4-yl)-5-dibenzothiophen-4-ylphenyl]-9-phenylcarbazole?
The canonical SMILES for 4-[3-(9-dibenzofuran-4-ylcarbazol-4-yl)-5-dibenzothiophen-4-ylphenyl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3c(-c4cc(-c5cccc6c5sc5ccccc56)cc(-c5cccc6c5c5ccccc5n6-c5cccc6c5oc5ccccc56)c4)cccc32)cc1.
What is the InChIKey of 4-[3-(9-dibenzofuran-4-ylcarbazol-4-yl)-5-dibenzothiophen-4-ylphenyl]-9-phenylcarbazole?
The InChIKey is LBPCEXAINPHAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36N2OS/c1-2-16-40(17-3-1)61-50-27-8-4-20-48(50)57-41(22-13-29-52(57)61)37-34-38(36-39(35-37)43-24-12-26-47-45-19-7-11-33-56(45)64-60(43)47)42-23-14-30-53-58(42)49-21-5-9-28-51(49)62(53)54-31-15-25-46-44-18-6-10-32-55(44)63-59(46)54/h1-36H.
What are the key properties of 4-[3-(9-dibenzofuran-4-ylcarbazol-4-yl)-5-dibenzothiophen-4-ylphenyl]-9-phenylcarbazole?
4-[3-(9-dibenzofuran-4-ylcarbazol-4-yl)-5-dibenzothiophen-4-ylphenyl]-9-phenylcarbazole has a molecular weight of 833.03 g/mol, XLogP of 17.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(9-dibenzofuran-4-ylcarbazol-4-yl)-5-dibenzothiophen-4-ylphenyl]-9-phenylcarbazole is sourced from PubChem (CID 140922485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).