2-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-5H-[1]benzothiolo[3,2-c]carbazole

C48H28N2OS — CID 145305657

IUPAC2-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-5H-[1]benzothiolo[3,2-c]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cccc5oc6ccc(-c7ccc8[nH]c9ccc%10c%11ccccc%11sc%10c9c8c7)cc6c45)ccc32)cc1
InChIInChI=1S/C48H28N2OS/c1-2-9-31(10-3-1)50-41-14-6-4-11-33(41)36-27-30(18-23-42(36)50)32-13-8-15-44-46(32)38-26-29(19-24-43(38)51-44)28-17-21-39-37(25-28)47-40(49-39)22-20-35-34-12-5-7-16-45(34)52-48(35)47/h1-27,49H
InChIKeyQXMFSHHOBJLCPA-UHFFFAOYSA-N
MW680.83 g/mol
LogP14.02
Rot. Bonds3

About 2-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-5H-[1]benzothiolo[3,2-c]carbazole

2-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-5H-[1]benzothiolo[3,2-c]carbazole (PubChem CID 145305657) has the molecular formula C48H28N2OS and a molecular weight of 680.83 g/mol. Its IUPAC name is 2-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-5H-[1]benzothiolo[3,2-c]carbazole.

Molecular Properties

Compound Name2-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-5H-[1]benzothiolo[3,2-c]carbazole
PubChem CID145305657
Molecular FormulaC48H28N2OS
Molecular Weight680.83 g/mol
Exact Mass680.19
IUPAC Name2-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-5H-[1]benzothiolo[3,2-c]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cccc5oc6ccc(-c7ccc8[nH]c9ccc%10c%11ccccc%11sc%10c9c8c7)cc6c45)ccc32)cc1
InChIInChI=1S/C48H28N2OS/c1-2-9-31(10-3-1)50-41-14-6-4-11-33(41)36-27-30(18-23-42(36)50)32-13-8-15-44-46(32)38-26-29(19-24-43(38)51-44)28-17-21-39-37(25-28)47-40(49-39)22-20-35-34-12-5-7-16-45(34)52-48(35)47/h1-27,49H
InChIKeyQXMFSHHOBJLCPA-UHFFFAOYSA-N
XLogP14.02
TPSA33.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.83
LogP ≤ 514.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-dibenzofuran-1-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-dibenzofuran-2-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 158805799
3-dibenzothiophen-4-yl-9H-carbazole;3-dibenzothiophen-4-yl-9-phenylcarbazole
CID 162055405
3-[9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 166953306
3-[9-[9-(4-carbazol-9-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 168768734
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-dibenzothiophen-2-yl-6-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-9-phenylcarbazole;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-9-phenylcarbazole;6-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-9-phenyl-2-(9-phenylcarbazol-3-yl)carbazole
CID 158954926
3-[2-[9-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzothiophen-4-yl]-9-phenylcarbazole
CID 168768197
3-dibenzofuran-1-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-dibenzofuran-2-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-dibenzofuran-3-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-dibenzothiophen-2-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-dibenzothiophen-3-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 165052012
3-[8-[9-(4-dibenzofuran-3-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-1-yl]-9-phenylcarbazole
CID 168768745
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-[9-[9-[4-(2-dibenzothiophen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 168768814
15-(4-dibenzothiophen-4-ylphenyl)-9-oxa-15-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;15-(9-phenylcarbazol-3-yl)-9-oxa-15-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;15-[4-(9-phenylcarbazol-3-yl)phenyl]-9-oxa-15-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene
CID 158535789

Frequently Asked Questions

What is the IUPAC name of 2-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-5H-[1]benzothiolo[3,2-c]carbazole?
The IUPAC name of 2-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-5H-[1]benzothiolo[3,2-c]carbazole (CID 145305657) is 2-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-5H-[1]benzothiolo[3,2-c]carbazole.
What is the SMILES notation for 2-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-5H-[1]benzothiolo[3,2-c]carbazole?
The canonical SMILES for 2-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-5H-[1]benzothiolo[3,2-c]carbazole is c1ccc(-n2c3ccccc3c3cc(-c4cccc5oc6ccc(-c7ccc8[nH]c9ccc%10c%11ccccc%11sc%10c9c8c7)cc6c45)ccc32)cc1.
What is the InChIKey of 2-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-5H-[1]benzothiolo[3,2-c]carbazole?
The InChIKey is QXMFSHHOBJLCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N2OS/c1-2-9-31(10-3-1)50-41-14-6-4-11-33(41)36-27-30(18-23-42(36)50)32-13-8-15-44-46(32)38-26-29(19-24-43(38)51-44)28-17-21-39-37(25-28)47-40(49-39)22-20-35-34-12-5-7-16-45(34)52-48(35)47/h1-27,49H.
What are the key properties of 2-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-5H-[1]benzothiolo[3,2-c]carbazole?
2-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-5H-[1]benzothiolo[3,2-c]carbazole has a molecular weight of 680.83 g/mol, XLogP of 14.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-5H-[1]benzothiolo[3,2-c]carbazole is sourced from PubChem (CID 145305657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).