2-[9-(4-dibenzofuran-2-ylphenyl)-6-phenylcarbazol-2-yl]-9-(4-dibenzothiophen-2-ylphenyl)-6-phenylcarbazole

C72H44N2OS — CID 58511094

IUPAC2-[9-(4-dibenzofuran-2-ylphenyl)-6-phenylcarbazol-2-yl]-9-(4-dibenzothiophen-2-ylphenyl)-6-phenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2ccc(-c4ccc5c6cc(-c7ccccc7)ccc6n(-c6ccc(-c7ccc8sc9ccccc9c8c7)cc6)c5c4)cc2n3-c2ccc(-c3ccc4oc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C72H44N2OS/c1-3-11-45(12-4-1)49-25-35-65-61(39-49)57-33-23-53(43-67(57)73(65)55-29-19-47(20-30-55)51-27-37-70-63(41-51)59-15-7-9-17-69(59)75-70)54-24-34-58-62-40-50(46-13-5-2-6-14-46)26-36-66(62)74(68(58)44-54)56-31-21-48(22-32-56)52-28-38-72-64(42-52)60-16-8-10-18-71(60)76-72/h1-44H
InChIKeyMWJGRJJUUVSFAK-UHFFFAOYSA-N
MW985.22 g/mol
LogP20.48
Rot. Bonds7

About 2-[9-(4-dibenzofuran-2-ylphenyl)-6-phenylcarbazol-2-yl]-9-(4-dibenzothiophen-2-ylphenyl)-6-phenylcarbazole

2-[9-(4-dibenzofuran-2-ylphenyl)-6-phenylcarbazol-2-yl]-9-(4-dibenzothiophen-2-ylphenyl)-6-phenylcarbazole (PubChem CID 58511094) has the molecular formula C72H44N2OS and a molecular weight of 985.22 g/mol. Its IUPAC name is 2-[9-(4-dibenzofuran-2-ylphenyl)-6-phenylcarbazol-2-yl]-9-(4-dibenzothiophen-2-ylphenyl)-6-phenylcarbazole.

Molecular Properties

Compound Name2-[9-(4-dibenzofuran-2-ylphenyl)-6-phenylcarbazol-2-yl]-9-(4-dibenzothiophen-2-ylphenyl)-6-phenylcarbazole
PubChem CID58511094
Molecular FormulaC72H44N2OS
Molecular Weight985.22 g/mol
Exact Mass984.32
IUPAC Name2-[9-(4-dibenzofuran-2-ylphenyl)-6-phenylcarbazol-2-yl]-9-(4-dibenzothiophen-2-ylphenyl)-6-phenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2ccc(-c4ccc5c6cc(-c7ccccc7)ccc6n(-c6ccc(-c7ccc8sc9ccccc9c8c7)cc6)c5c4)cc2n3-c2ccc(-c3ccc4oc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C72H44N2OS/c1-3-11-45(12-4-1)49-25-35-65-61(39-49)57-33-23-53(43-67(57)73(65)55-29-19-47(20-30-55)51-27-37-70-63(41-51)59-15-7-9-17-69(59)75-70)54-24-34-58-62-40-50(46-13-5-2-6-14-46)26-36-66(62)74(68(58)44-54)56-31-21-48(22-32-56)52-28-38-72-64(42-52)60-16-8-10-18-71(60)76-72/h1-44H
InChIKeyMWJGRJJUUVSFAK-UHFFFAOYSA-N
XLogP20.48
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500985.22
LogP ≤ 520.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[9-(4-dibenzofuran-2-ylphenyl)-6-phenylcarbazol-2-yl]-9-(4-dibenzothiophen-2-ylphenyl)-6-phenylcarbazole?
The IUPAC name of 2-[9-(4-dibenzofuran-2-ylphenyl)-6-phenylcarbazol-2-yl]-9-(4-dibenzothiophen-2-ylphenyl)-6-phenylcarbazole (CID 58511094) is 2-[9-(4-dibenzofuran-2-ylphenyl)-6-phenylcarbazol-2-yl]-9-(4-dibenzothiophen-2-ylphenyl)-6-phenylcarbazole.
What is the SMILES notation for 2-[9-(4-dibenzofuran-2-ylphenyl)-6-phenylcarbazol-2-yl]-9-(4-dibenzothiophen-2-ylphenyl)-6-phenylcarbazole?
The canonical SMILES for 2-[9-(4-dibenzofuran-2-ylphenyl)-6-phenylcarbazol-2-yl]-9-(4-dibenzothiophen-2-ylphenyl)-6-phenylcarbazole is c1ccc(-c2ccc3c(c2)c2ccc(-c4ccc5c6cc(-c7ccccc7)ccc6n(-c6ccc(-c7ccc8sc9ccccc9c8c7)cc6)c5c4)cc2n3-c2ccc(-c3ccc4oc5ccccc5c4c3)cc2)cc1.
What is the InChIKey of 2-[9-(4-dibenzofuran-2-ylphenyl)-6-phenylcarbazol-2-yl]-9-(4-dibenzothiophen-2-ylphenyl)-6-phenylcarbazole?
The InChIKey is MWJGRJJUUVSFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H44N2OS/c1-3-11-45(12-4-1)49-25-35-65-61(39-49)57-33-23-53(43-67(57)73(65)55-29-19-47(20-30-55)51-27-37-70-63(41-51)59-15-7-9-17-69(59)75-70)54-24-34-58-62-40-50(46-13-5-2-6-14-46)26-36-66(62)74(68(58)44-54)56-31-21-48(22-32-56)52-28-38-72-64(42-52)60-16-8-10-18-71(60)76-72/h1-44H.
What are the key properties of 2-[9-(4-dibenzofuran-2-ylphenyl)-6-phenylcarbazol-2-yl]-9-(4-dibenzothiophen-2-ylphenyl)-6-phenylcarbazole?
2-[9-(4-dibenzofuran-2-ylphenyl)-6-phenylcarbazol-2-yl]-9-(4-dibenzothiophen-2-ylphenyl)-6-phenylcarbazole has a molecular weight of 985.22 g/mol, XLogP of 20.48, 7 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)-6-phenylcarbazol-2-yl]-9-(4-dibenzothiophen-2-ylphenyl)-6-phenylcarbazole is sourced from PubChem (CID 58511094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).