3-phenyl-9-(8-phenyldibenzofuran-2-yl)-6-[6-phenyl-9-(8-phenyldibenzothiophen-2-yl)carbazol-3-yl]carbazole

C72H44N2OS — CID 58511020

IUPAC3-phenyl-9-(8-phenyldibenzofuran-2-yl)-6-[6-phenyl-9-(8-phenyldibenzothiophen-2-yl)carbazol-3-yl]carbazole
SMILESc1ccc(-c2ccc3oc4ccc(-n5c6ccc(-c7ccccc7)cc6c6cc(-c7ccc8c(c7)c7cc(-c9ccccc9)ccc7n8-c7ccc8sc9ccc(-c%10ccccc%10)cc9c8c7)ccc65)cc4c3c2)cc1
InChIInChI=1S/C72H44N2OS/c1-5-13-45(14-6-1)49-21-29-65-57(37-49)59-39-53(23-31-67(59)73(65)55-27-34-70-62(43-55)61-41-51(25-33-69(61)75-70)47-17-9-3-10-18-47)54-24-32-68-60(40-54)58-38-50(46-15-7-2-8-16-46)22-30-66(58)74(68)56-28-36-72-64(44-56)63-42-52(26-35-71(63)76-72)48-19-11-4-12-20-48/h1-44H
InChIKeyISSYSZFEMPELLW-UHFFFAOYSA-N
MW985.22 g/mol
LogP20.48
Rot. Bonds7

About 3-phenyl-9-(8-phenyldibenzofuran-2-yl)-6-[6-phenyl-9-(8-phenyldibenzothiophen-2-yl)carbazol-3-yl]carbazole

3-phenyl-9-(8-phenyldibenzofuran-2-yl)-6-[6-phenyl-9-(8-phenyldibenzothiophen-2-yl)carbazol-3-yl]carbazole (PubChem CID 58511020) has the molecular formula C72H44N2OS and a molecular weight of 985.22 g/mol. Its IUPAC name is 3-phenyl-9-(8-phenyldibenzofuran-2-yl)-6-[6-phenyl-9-(8-phenyldibenzothiophen-2-yl)carbazol-3-yl]carbazole.

Molecular Properties

Compound Name3-phenyl-9-(8-phenyldibenzofuran-2-yl)-6-[6-phenyl-9-(8-phenyldibenzothiophen-2-yl)carbazol-3-yl]carbazole
PubChem CID58511020
Molecular FormulaC72H44N2OS
Molecular Weight985.22 g/mol
Exact Mass984.32
IUPAC Name3-phenyl-9-(8-phenyldibenzofuran-2-yl)-6-[6-phenyl-9-(8-phenyldibenzothiophen-2-yl)carbazol-3-yl]carbazole
SMILESc1ccc(-c2ccc3oc4ccc(-n5c6ccc(-c7ccccc7)cc6c6cc(-c7ccc8c(c7)c7cc(-c9ccccc9)ccc7n8-c7ccc8sc9ccc(-c%10ccccc%10)cc9c8c7)ccc65)cc4c3c2)cc1
InChIInChI=1S/C72H44N2OS/c1-5-13-45(14-6-1)49-21-29-65-57(37-49)59-39-53(23-31-67(59)73(65)55-27-34-70-62(43-55)61-41-51(25-33-69(61)75-70)47-17-9-3-10-18-47)54-24-32-68-60(40-54)58-38-50(46-15-7-2-8-16-46)22-30-66(58)74(68)56-28-36-72-64(44-56)63-42-52(26-35-71(63)76-72)48-19-11-4-12-20-48/h1-44H
InChIKeyISSYSZFEMPELLW-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 3-phenyl-9-(8-phenyldibenzofuran-2-yl)-6-[6-phenyl-9-(8-phenyldibenzothiophen-2-yl)carbazol-3-yl]carbazole?
The IUPAC name of 3-phenyl-9-(8-phenyldibenzofuran-2-yl)-6-[6-phenyl-9-(8-phenyldibenzothiophen-2-yl)carbazol-3-yl]carbazole (CID 58511020) is 3-phenyl-9-(8-phenyldibenzofuran-2-yl)-6-[6-phenyl-9-(8-phenyldibenzothiophen-2-yl)carbazol-3-yl]carbazole.
What is the SMILES notation for 3-phenyl-9-(8-phenyldibenzofuran-2-yl)-6-[6-phenyl-9-(8-phenyldibenzothiophen-2-yl)carbazol-3-yl]carbazole?
The canonical SMILES for 3-phenyl-9-(8-phenyldibenzofuran-2-yl)-6-[6-phenyl-9-(8-phenyldibenzothiophen-2-yl)carbazol-3-yl]carbazole is c1ccc(-c2ccc3oc4ccc(-n5c6ccc(-c7ccccc7)cc6c6cc(-c7ccc8c(c7)c7cc(-c9ccccc9)ccc7n8-c7ccc8sc9ccc(-c%10ccccc%10)cc9c8c7)ccc65)cc4c3c2)cc1.
What is the InChIKey of 3-phenyl-9-(8-phenyldibenzofuran-2-yl)-6-[6-phenyl-9-(8-phenyldibenzothiophen-2-yl)carbazol-3-yl]carbazole?
The InChIKey is ISSYSZFEMPELLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H44N2OS/c1-5-13-45(14-6-1)49-21-29-65-57(37-49)59-39-53(23-31-67(59)73(65)55-27-34-70-62(43-55)61-41-51(25-33-69(61)75-70)47-17-9-3-10-18-47)54-24-32-68-60(40-54)58-38-50(46-15-7-2-8-16-46)22-30-66(58)74(68)56-28-36-72-64(44-56)63-42-52(26-35-71(63)76-72)48-19-11-4-12-20-48/h1-44H.
What are the key properties of 3-phenyl-9-(8-phenyldibenzofuran-2-yl)-6-[6-phenyl-9-(8-phenyldibenzothiophen-2-yl)carbazol-3-yl]carbazole?
3-phenyl-9-(8-phenyldibenzofuran-2-yl)-6-[6-phenyl-9-(8-phenyldibenzothiophen-2-yl)carbazol-3-yl]carbazole 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 3-phenyl-9-(8-phenyldibenzofuran-2-yl)-6-[6-phenyl-9-(8-phenyldibenzothiophen-2-yl)carbazol-3-yl]carbazole is sourced from PubChem (CID 58511020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).