7-phenyl-2-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole

C48H28N2OS — CID 134223424

IUPAC7-phenyl-2-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc4c(cc32)oc2ccc(-c3ccc5c(c3)c3cc6c(cc3n5-c3ccccc3)sc3ccccc36)cc24)cc1
InChIInChI=1S/C48H28N2OS/c1-3-11-31(12-4-1)49-41-17-9-7-15-33(41)36-25-39-38-24-30(20-22-45(38)51-46(39)27-43(36)49)29-19-21-42-35(23-29)37-26-40-34-16-8-10-18-47(34)52-48(40)28-44(37)50(42)32-13-5-2-6-14-32/h1-28H
InChIKeyAZTDKUANONULOP-UHFFFAOYSA-N
MW680.83 g/mol
LogP13.82
Rot. Bonds3

About 7-phenyl-2-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole

7-phenyl-2-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole (PubChem CID 134223424) has the molecular formula C48H28N2OS and a molecular weight of 680.83 g/mol. Its IUPAC name is 7-phenyl-2-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

Compound Name7-phenyl-2-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole
PubChem CID134223424
Molecular FormulaC48H28N2OS
Molecular Weight680.83 g/mol
Exact Mass680.19
IUPAC Name7-phenyl-2-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc4c(cc32)oc2ccc(-c3ccc5c(c3)c3cc6c(cc3n5-c3ccccc3)sc3ccccc36)cc24)cc1
InChIInChI=1S/C48H28N2OS/c1-3-11-31(12-4-1)49-41-17-9-7-15-33(41)36-25-39-38-24-30(20-22-45(38)51-46(39)27-43(36)49)29-19-21-42-35(23-29)37-26-40-34-16-8-10-18-47(34)52-48(40)28-44(37)50(42)32-13-5-2-6-14-32/h1-28H
InChIKeyAZTDKUANONULOP-UHFFFAOYSA-N
XLogP13.82
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.83
LogP ≤ 513.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-phenyl-2-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole with MolForge

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Related Compounds

10-dibenzofuran-2-yl-7-phenyl-[1]benzothiolo[2,3-b]carbazole
CID 166009360
10-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole
CID 134223312
3-dibenzofuran-2-yl-6-dibenzothiophen-2-yl-9-phenylcarbazole
CID 122451698
2-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134223413
9-dibenzofuran-2-yl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-dibenzothiophen-2-yl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;3,6,9-tris(9-phenylcarbazol-3-yl)carbazole
CID 161382413
3-dibenzofuran-2-yl-9-phenylcarbazole;3-dibenzothiophen-2-yl-9-phenylcarbazole;3-dibenzothiophen-2-yl-9-(4-phenylphenyl)carbazole
CID 160651391
10-(9-phenylcarbazol-3-yl)-7-(4-phenylphenyl)-[1]benzothiolo[2,3-b]carbazole
CID 160787122
7-phenyl-9-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-10-yl)-[1]benzothiolo[2,3-b]carbazole
CID 134223431
3-[9-(10-oxa-20-thiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-7-yl)carbazol-3-yl]-9-phenylcarbazole
CID 142497124
10-dibenzothiophen-2-yl-7-phenyl-[1]benzothiolo[2,3-b]carbazole
CID 166009558
2-dibenzothiophen-2-yl-5,7-diphenylindolo[2,3-b]carbazole
CID 166009400
9-dibenzofuran-2-yl-3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]carbazole;9-dibenzothiophen-2-yl-3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]carbazole;2-(9-phenylcarbazol-3-yl)-9-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 157326935

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-2-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole?
The IUPAC name of 7-phenyl-2-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole (CID 134223424) is 7-phenyl-2-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole.
What is the SMILES notation for 7-phenyl-2-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole?
The canonical SMILES for 7-phenyl-2-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole is c1ccc(-n2c3ccccc3c3cc4c(cc32)oc2ccc(-c3ccc5c(c3)c3cc6c(cc3n5-c3ccccc3)sc3ccccc36)cc24)cc1.
What is the InChIKey of 7-phenyl-2-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole?
The InChIKey is AZTDKUANONULOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N2OS/c1-3-11-31(12-4-1)49-41-17-9-7-15-33(41)36-25-39-38-24-30(20-22-45(38)51-46(39)27-43(36)49)29-19-21-42-35(23-29)37-26-40-34-16-8-10-18-47(34)52-48(40)28-44(37)50(42)32-13-5-2-6-14-32/h1-28H.
What are the key properties of 7-phenyl-2-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole?
7-phenyl-2-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole has a molecular weight of 680.83 g/mol, XLogP of 13.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-2-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 134223424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).