2-[9-(4-dibenzofuran-2-ylphenyl)carbazol-2-yl]-9-(4-dibenzothiophen-2-ylphenyl)carbazole

C60H36N2OS — CID 58511017

IUPAC2-[9-(4-dibenzofuran-2-ylphenyl)carbazol-2-yl]-9-(4-dibenzothiophen-2-ylphenyl)carbazole
SMILESc1ccc2c(c1)oc1ccc(-c3ccc(-n4c5ccccc5c5ccc(-c6ccc7c8ccccc8n(-c8ccc(-c9ccc%10sc%11ccccc%11c%10c9)cc8)c7c6)cc54)cc3)cc12
InChIInChI=1S/C60H36N2OS/c1-5-13-53-45(9-1)47-29-21-41(35-55(47)61(53)43-25-17-37(18-26-43)39-23-31-58-51(33-39)49-11-3-7-15-57(49)63-58)42-22-30-48-46-10-2-6-14-54(46)62(56(48)36-42)44-27-19-38(20-28-44)40-24-32-60-52(34-40)50-12-4-8-16-59(50)64-60/h1-36H
InChIKeyIZIYEWRZIILIPA-UHFFFAOYSA-N
MW833.03 g/mol
LogP17.15
Rot. Bonds5

About 2-[9-(4-dibenzofuran-2-ylphenyl)carbazol-2-yl]-9-(4-dibenzothiophen-2-ylphenyl)carbazole

2-[9-(4-dibenzofuran-2-ylphenyl)carbazol-2-yl]-9-(4-dibenzothiophen-2-ylphenyl)carbazole (PubChem CID 58511017) has the molecular formula C60H36N2OS and a molecular weight of 833.03 g/mol. Its IUPAC name is 2-[9-(4-dibenzofuran-2-ylphenyl)carbazol-2-yl]-9-(4-dibenzothiophen-2-ylphenyl)carbazole.

Molecular Properties

Compound Name2-[9-(4-dibenzofuran-2-ylphenyl)carbazol-2-yl]-9-(4-dibenzothiophen-2-ylphenyl)carbazole
PubChem CID58511017
Molecular FormulaC60H36N2OS
Molecular Weight833.03 g/mol
Exact Mass832.25
IUPAC Name2-[9-(4-dibenzofuran-2-ylphenyl)carbazol-2-yl]-9-(4-dibenzothiophen-2-ylphenyl)carbazole
SMILESc1ccc2c(c1)oc1ccc(-c3ccc(-n4c5ccccc5c5ccc(-c6ccc7c8ccccc8n(-c8ccc(-c9ccc%10sc%11ccccc%11c%10c9)cc8)c7c6)cc54)cc3)cc12
InChIInChI=1S/C60H36N2OS/c1-5-13-53-45(9-1)47-29-21-41(35-55(47)61(53)43-25-17-37(18-26-43)39-23-31-58-51(33-39)49-11-3-7-15-57(49)63-58)42-22-30-48-46-10-2-6-14-54(46)62(56(48)36-42)44-27-19-38(20-28-44)40-24-32-60-52(34-40)50-12-4-8-16-59(50)64-60/h1-36H
InChIKeyIZIYEWRZIILIPA-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

N-([1,1'-biphenyl]-4-yl)-3'-(9H-carbazol-9-yl)-N-(4-(dibenzo[b,d]furan-4-yl)phenyl)-[1,1'-biphenyl]-4-amine
CID 118952247
18-[3-(12-Oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)phenyl]-14-phenyl-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene
CID 129119515
9-Phenyl-2-[2-(9-phenylcarbazol-2-yl)dibenzofuran-4-yl]carbazole
CID 129127331
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
3-(9-Dibenzofuran-3-ylcarbazol-3-yl)-10-dibenzothiophen-3-ylspiro[acridine-9,9'-fluorene]
CID 129306364
7-(4-dibenzofuran-4-ylphenyl)-N,N,5-triphenylindolo[2,3-b]carbazol-3-amine
CID 134222268
5-(4-Dibenzofuran-4-ylphenyl)-7-(4-naphthalen-2-ylphenyl)indolo[2,3-b]carbazole
CID 134222269
9-Cyclohexa-1,3-dien-1-yl-3,6-di(dibenzofuran-2-yl)carbazole
CID 134223168
9-phenyl-3-[2-(9-phenylcarbazol-3-yl)-6H-cyclohepta[b][1]benzofuran-9-yl]carbazole
CID 134223176
Dibenzofuran-2-yl-diphenyl-(9-phenylcarbazol-3-yl)-lambda4-sulfane
CID 134223188
7-Dibenzothiophen-4-yl-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole
CID 134223320

Frequently Asked Questions

What is the IUPAC name of 2-[9-(4-dibenzofuran-2-ylphenyl)carbazol-2-yl]-9-(4-dibenzothiophen-2-ylphenyl)carbazole?
The IUPAC name of 2-[9-(4-dibenzofuran-2-ylphenyl)carbazol-2-yl]-9-(4-dibenzothiophen-2-ylphenyl)carbazole (CID 58511017) is 2-[9-(4-dibenzofuran-2-ylphenyl)carbazol-2-yl]-9-(4-dibenzothiophen-2-ylphenyl)carbazole.
What is the SMILES notation for 2-[9-(4-dibenzofuran-2-ylphenyl)carbazol-2-yl]-9-(4-dibenzothiophen-2-ylphenyl)carbazole?
The canonical SMILES for 2-[9-(4-dibenzofuran-2-ylphenyl)carbazol-2-yl]-9-(4-dibenzothiophen-2-ylphenyl)carbazole is c1ccc2c(c1)oc1ccc(-c3ccc(-n4c5ccccc5c5ccc(-c6ccc7c8ccccc8n(-c8ccc(-c9ccc%10sc%11ccccc%11c%10c9)cc8)c7c6)cc54)cc3)cc12.
What is the InChIKey of 2-[9-(4-dibenzofuran-2-ylphenyl)carbazol-2-yl]-9-(4-dibenzothiophen-2-ylphenyl)carbazole?
The InChIKey is IZIYEWRZIILIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36N2OS/c1-5-13-53-45(9-1)47-29-21-41(35-55(47)61(53)43-25-17-37(18-26-43)39-23-31-58-51(33-39)49-11-3-7-15-57(49)63-58)42-22-30-48-46-10-2-6-14-54(46)62(56(48)36-42)44-27-19-38(20-28-44)40-24-32-60-52(34-40)50-12-4-8-16-59(50)64-60/h1-36H.
What are the key properties of 2-[9-(4-dibenzofuran-2-ylphenyl)carbazol-2-yl]-9-(4-dibenzothiophen-2-ylphenyl)carbazole?
2-[9-(4-dibenzofuran-2-ylphenyl)carbazol-2-yl]-9-(4-dibenzothiophen-2-ylphenyl)carbazole 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 2-[9-(4-dibenzofuran-2-ylphenyl)carbazol-2-yl]-9-(4-dibenzothiophen-2-ylphenyl)carbazole is sourced from PubChem (CID 58511017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).