9-dibenzothiophen-3-yl-3-[3-[2-[2-[4-[3-(2-phenylphenyl)phenyl]phenyl]phenyl]phenoxy]carbazol-9-yl]carbazole

C72H46N2OS — CID 118438904

IUPAC9-dibenzothiophen-3-yl-3-[3-[2-[2-[4-[3-(2-phenylphenyl)phenyl]phenyl]phenyl]phenoxy]carbazol-9-yl]carbazole
SMILESc1ccc(-c2ccccc2-c2cccc(-c3ccc(-c4ccccc4-c4ccccc4Oc4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)sc4ccccc45)cc3)c2)cc1
InChIInChI=1S/C72H46N2OS/c1-2-17-48(18-3-1)55-21-4-5-23-57(55)51-20-16-19-50(43-51)47-33-35-49(36-34-47)56-22-6-7-24-58(56)61-27-10-14-31-70(61)75-54-39-42-69-65(46-54)60-26-9-13-30-67(60)73(69)52-38-41-68-64(44-52)59-25-8-12-29-66(59)74(68)53-37-40-63-62-28-11-15-32-71(62)76-72(63)45-53/h1-46H
InChIKeyYOABRSWKVNXXOR-UHFFFAOYSA-N
MW987.24 g/mol
LogP20.38
Rot. Bonds9

About 9-dibenzothiophen-3-yl-3-[3-[2-[2-[4-[3-(2-phenylphenyl)phenyl]phenyl]phenyl]phenoxy]carbazol-9-yl]carbazole

9-dibenzothiophen-3-yl-3-[3-[2-[2-[4-[3-(2-phenylphenyl)phenyl]phenyl]phenyl]phenoxy]carbazol-9-yl]carbazole (PubChem CID 118438904) has the molecular formula C72H46N2OS and a molecular weight of 987.24 g/mol. Its IUPAC name is 9-dibenzothiophen-3-yl-3-[3-[2-[2-[4-[3-(2-phenylphenyl)phenyl]phenyl]phenyl]phenoxy]carbazol-9-yl]carbazole.

Molecular Properties

Compound Name9-dibenzothiophen-3-yl-3-[3-[2-[2-[4-[3-(2-phenylphenyl)phenyl]phenyl]phenyl]phenoxy]carbazol-9-yl]carbazole
PubChem CID118438904
Molecular FormulaC72H46N2OS
Molecular Weight987.24 g/mol
Exact Mass986.33
IUPAC Name9-dibenzothiophen-3-yl-3-[3-[2-[2-[4-[3-(2-phenylphenyl)phenyl]phenyl]phenyl]phenoxy]carbazol-9-yl]carbazole
SMILESc1ccc(-c2ccccc2-c2cccc(-c3ccc(-c4ccccc4-c4ccccc4Oc4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)sc4ccccc45)cc3)c2)cc1
InChIInChI=1S/C72H46N2OS/c1-2-17-48(18-3-1)55-21-4-5-23-57(55)51-20-16-19-50(43-51)47-33-35-49(36-34-47)56-22-6-7-24-58(56)61-27-10-14-31-70(61)75-54-39-42-69-65(46-54)60-26-9-13-30-67(60)73(69)52-38-41-68-64(44-52)59-25-8-12-29-66(59)74(68)53-37-40-63-62-28-11-15-32-71(62)76-72(63)45-53/h1-46H
InChIKeyYOABRSWKVNXXOR-UHFFFAOYSA-N
XLogP20.38
TPSA19.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500987.24
LogP ≤ 520.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-dibenzothiophen-3-yl-3-[3-[2-[2-[4-[3-(2-phenylphenyl)phenyl]phenyl]phenyl]phenoxy]carbazol-9-yl]carbazole?
The IUPAC name of 9-dibenzothiophen-3-yl-3-[3-[2-[2-[4-[3-(2-phenylphenyl)phenyl]phenyl]phenyl]phenoxy]carbazol-9-yl]carbazole (CID 118438904) is 9-dibenzothiophen-3-yl-3-[3-[2-[2-[4-[3-(2-phenylphenyl)phenyl]phenyl]phenyl]phenoxy]carbazol-9-yl]carbazole.
What is the SMILES notation for 9-dibenzothiophen-3-yl-3-[3-[2-[2-[4-[3-(2-phenylphenyl)phenyl]phenyl]phenyl]phenoxy]carbazol-9-yl]carbazole?
The canonical SMILES for 9-dibenzothiophen-3-yl-3-[3-[2-[2-[4-[3-(2-phenylphenyl)phenyl]phenyl]phenyl]phenoxy]carbazol-9-yl]carbazole is c1ccc(-c2ccccc2-c2cccc(-c3ccc(-c4ccccc4-c4ccccc4Oc4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)sc4ccccc45)cc3)c2)cc1.
What is the InChIKey of 9-dibenzothiophen-3-yl-3-[3-[2-[2-[4-[3-(2-phenylphenyl)phenyl]phenyl]phenyl]phenoxy]carbazol-9-yl]carbazole?
The InChIKey is YOABRSWKVNXXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H46N2OS/c1-2-17-48(18-3-1)55-21-4-5-23-57(55)51-20-16-19-50(43-51)47-33-35-49(36-34-47)56-22-6-7-24-58(56)61-27-10-14-31-70(61)75-54-39-42-69-65(46-54)60-26-9-13-30-67(60)73(69)52-38-41-68-64(44-52)59-25-8-12-29-66(59)74(68)53-37-40-63-62-28-11-15-32-71(62)76-72(63)45-53/h1-46H.
What are the key properties of 9-dibenzothiophen-3-yl-3-[3-[2-[2-[4-[3-(2-phenylphenyl)phenyl]phenyl]phenyl]phenoxy]carbazol-9-yl]carbazole?
9-dibenzothiophen-3-yl-3-[3-[2-[2-[4-[3-(2-phenylphenyl)phenyl]phenyl]phenyl]phenoxy]carbazol-9-yl]carbazole has a molecular weight of 987.24 g/mol, XLogP of 20.38, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzothiophen-3-yl-3-[3-[2-[2-[4-[3-(2-phenylphenyl)phenyl]phenyl]phenyl]phenoxy]carbazol-9-yl]carbazole is sourced from PubChem (CID 118438904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).