8-dibenzofuran-3-yl-11-[4-(9-phenylcarbazol-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole

C54H32N2OS — CID 90051079

IUPAC8-dibenzofuran-3-yl-11-[4-(9-phenylcarbazol-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4ccc(-n5c6ccc(-c7ccc8c(c7)oc7ccccc78)cc6c6cc7sc8ccccc8c7cc65)cc4)cc32)cc1
InChIInChI=1S/C54H32N2OS/c1-2-10-37(11-3-1)55-47-15-7-4-12-39(47)40-25-20-35(29-49(40)55)33-18-23-38(24-19-33)56-48-27-22-34(36-21-26-42-41-13-5-8-16-51(41)57-52(42)30-36)28-44(48)45-32-54-46(31-50(45)56)43-14-6-9-17-53(43)58-54/h1-32H
InChIKeyHKHNHQLIXYQJHF-UHFFFAOYSA-N
MW756.93 g/mol
LogP15.48
Rot. Bonds4

About 8-dibenzofuran-3-yl-11-[4-(9-phenylcarbazol-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole

8-dibenzofuran-3-yl-11-[4-(9-phenylcarbazol-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole (PubChem CID 90051079) has the molecular formula C54H32N2OS and a molecular weight of 756.93 g/mol. Its IUPAC name is 8-dibenzofuran-3-yl-11-[4-(9-phenylcarbazol-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole.

Molecular Properties

Compound Name8-dibenzofuran-3-yl-11-[4-(9-phenylcarbazol-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole
PubChem CID90051079
Molecular FormulaC54H32N2OS
Molecular Weight756.93 g/mol
Exact Mass756.22
IUPAC Name8-dibenzofuran-3-yl-11-[4-(9-phenylcarbazol-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4ccc(-n5c6ccc(-c7ccc8c(c7)oc7ccccc78)cc6c6cc7sc8ccccc8c7cc65)cc4)cc32)cc1
InChIInChI=1S/C54H32N2OS/c1-2-10-37(11-3-1)55-47-15-7-4-12-39(47)40-25-20-35(29-49(40)55)33-18-23-38(24-19-33)56-48-27-22-34(36-21-26-42-41-13-5-8-16-51(41)57-52(42)30-36)28-44(48)45-32-54-46(31-50(45)56)43-14-6-9-17-53(43)58-54/h1-32H
InChIKeyHKHNHQLIXYQJHF-UHFFFAOYSA-N
XLogP15.48
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.93
LogP ≤ 515.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-dibenzofuran-3-yl-11-[4-(9-phenylcarbazol-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole?
The IUPAC name of 8-dibenzofuran-3-yl-11-[4-(9-phenylcarbazol-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole (CID 90051079) is 8-dibenzofuran-3-yl-11-[4-(9-phenylcarbazol-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole.
What is the SMILES notation for 8-dibenzofuran-3-yl-11-[4-(9-phenylcarbazol-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole?
The canonical SMILES for 8-dibenzofuran-3-yl-11-[4-(9-phenylcarbazol-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole is c1ccc(-n2c3ccccc3c3ccc(-c4ccc(-n5c6ccc(-c7ccc8c(c7)oc7ccccc78)cc6c6cc7sc8ccccc8c7cc65)cc4)cc32)cc1.
What is the InChIKey of 8-dibenzofuran-3-yl-11-[4-(9-phenylcarbazol-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole?
The InChIKey is HKHNHQLIXYQJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N2OS/c1-2-10-37(11-3-1)55-47-15-7-4-12-39(47)40-25-20-35(29-49(40)55)33-18-23-38(24-19-33)56-48-27-22-34(36-21-26-42-41-13-5-8-16-51(41)57-52(42)30-36)28-44(48)45-32-54-46(31-50(45)56)43-14-6-9-17-53(43)58-54/h1-32H.
What are the key properties of 8-dibenzofuran-3-yl-11-[4-(9-phenylcarbazol-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole?
8-dibenzofuran-3-yl-11-[4-(9-phenylcarbazol-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole has a molecular weight of 756.93 g/mol, XLogP of 15.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-dibenzofuran-3-yl-11-[4-(9-phenylcarbazol-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole is sourced from PubChem (CID 90051079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).