5-(8-dibenzothiophen-3-ylquinoxalin-5-yl)-2-[3-[4-[4-[8-(2-phenylbenzo[b]carbazol-5-yl)phthalazin-5-yl]carbazol-9-yl]phenyl]phenyl]benzo[b]carbazole

C90H53N7S — CID 146539843

IUPAC5-(8-dibenzothiophen-3-ylquinoxalin-5-yl)-2-[3-[4-[4-[8-(2-phenylbenzo[b]carbazol-5-yl)phthalazin-5-yl]carbazol-9-yl]phenyl]phenyl]benzo[b]carbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc4ccccc4cc2n3-c2ccc(-c3cccc4c3c3ccccc3n4-c3ccc(-c4cccc(-c5ccc6c(c5)c5cc7ccccc7cc5n6-c5ccc(-c6ccc7c(c6)sc6ccccc67)c6nccnc56)c4)cc3)c3cnncc23)cc1
InChIInChI=1S/C90H53N7S/c1-2-14-54(15-3-1)62-31-38-79-72(47-62)74-45-58-16-4-6-18-60(58)49-84(74)96(79)81-40-37-67(76-52-93-94-53-77(76)81)70-24-13-26-82-88(70)71-23-8-10-25-78(71)95(82)65-33-28-55(29-34-65)56-20-12-21-57(44-56)63-32-39-80-73(48-63)75-46-59-17-5-7-19-61(59)50-85(75)97(80)83-41-36-66(89-90(83)92-43-42-91-89)64-30-35-69-68-22-9-11-27-86(68)98-87(69)51-64/h1-53H
InChIKeyFIOQURNVDUVJNR-UHFFFAOYSA-N
MW1264.53 g/mol
LogP23.87
Rot. Bonds8

About 5-(8-dibenzothiophen-3-ylquinoxalin-5-yl)-2-[3-[4-[4-[8-(2-phenylbenzo[b]carbazol-5-yl)phthalazin-5-yl]carbazol-9-yl]phenyl]phenyl]benzo[b]carbazole

5-(8-dibenzothiophen-3-ylquinoxalin-5-yl)-2-[3-[4-[4-[8-(2-phenylbenzo[b]carbazol-5-yl)phthalazin-5-yl]carbazol-9-yl]phenyl]phenyl]benzo[b]carbazole (PubChem CID 146539843) has the molecular formula C90H53N7S and a molecular weight of 1264.53 g/mol. Its IUPAC name is 5-(8-dibenzothiophen-3-ylquinoxalin-5-yl)-2-[3-[4-[4-[8-(2-phenylbenzo[b]carbazol-5-yl)phthalazin-5-yl]carbazol-9-yl]phenyl]phenyl]benzo[b]carbazole.

Molecular Properties

Compound Name5-(8-dibenzothiophen-3-ylquinoxalin-5-yl)-2-[3-[4-[4-[8-(2-phenylbenzo[b]carbazol-5-yl)phthalazin-5-yl]carbazol-9-yl]phenyl]phenyl]benzo[b]carbazole
PubChem CID146539843
Molecular FormulaC90H53N7S
Molecular Weight1264.53 g/mol
Exact Mass1263.41
IUPAC Name5-(8-dibenzothiophen-3-ylquinoxalin-5-yl)-2-[3-[4-[4-[8-(2-phenylbenzo[b]carbazol-5-yl)phthalazin-5-yl]carbazol-9-yl]phenyl]phenyl]benzo[b]carbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc4ccccc4cc2n3-c2ccc(-c3cccc4c3c3ccccc3n4-c3ccc(-c4cccc(-c5ccc6c(c5)c5cc7ccccc7cc5n6-c5ccc(-c6ccc7c(c6)sc6ccccc67)c6nccnc56)c4)cc3)c3cnncc23)cc1
InChIInChI=1S/C90H53N7S/c1-2-14-54(15-3-1)62-31-38-79-72(47-62)74-45-58-16-4-6-18-60(58)49-84(74)96(79)81-40-37-67(76-52-93-94-53-77(76)81)70-24-13-26-82-88(70)71-23-8-10-25-78(71)95(82)65-33-28-55(29-34-65)56-20-12-21-57(44-56)63-32-39-80-73(48-63)75-46-59-17-5-7-19-61(59)50-85(75)97(80)83-41-36-66(89-90(83)92-43-42-91-89)64-30-35-69-68-22-9-11-27-86(68)98-87(69)51-64/h1-53H
InChIKeyFIOQURNVDUVJNR-UHFFFAOYSA-N
XLogP23.87
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms98
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001264.53
LogP ≤ 523.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-(8-dibenzothiophen-3-ylquinoxalin-5-yl)-2-[3-[4-[4-[8-(2-phenylbenzo[b]carbazol-5-yl)phthalazin-5-yl]carbazol-9-yl]phenyl]phenyl]benzo[b]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(8-dibenzothiophen-3-ylquinoxalin-5-yl)-2-[3-[4-[4-[8-(2-phenylbenzo[b]carbazol-5-yl)phthalazin-5-yl]carbazol-9-yl]phenyl]phenyl]benzo[b]carbazole?
The IUPAC name of 5-(8-dibenzothiophen-3-ylquinoxalin-5-yl)-2-[3-[4-[4-[8-(2-phenylbenzo[b]carbazol-5-yl)phthalazin-5-yl]carbazol-9-yl]phenyl]phenyl]benzo[b]carbazole (CID 146539843) is 5-(8-dibenzothiophen-3-ylquinoxalin-5-yl)-2-[3-[4-[4-[8-(2-phenylbenzo[b]carbazol-5-yl)phthalazin-5-yl]carbazol-9-yl]phenyl]phenyl]benzo[b]carbazole.
What is the SMILES notation for 5-(8-dibenzothiophen-3-ylquinoxalin-5-yl)-2-[3-[4-[4-[8-(2-phenylbenzo[b]carbazol-5-yl)phthalazin-5-yl]carbazol-9-yl]phenyl]phenyl]benzo[b]carbazole?
The canonical SMILES for 5-(8-dibenzothiophen-3-ylquinoxalin-5-yl)-2-[3-[4-[4-[8-(2-phenylbenzo[b]carbazol-5-yl)phthalazin-5-yl]carbazol-9-yl]phenyl]phenyl]benzo[b]carbazole is c1ccc(-c2ccc3c(c2)c2cc4ccccc4cc2n3-c2ccc(-c3cccc4c3c3ccccc3n4-c3ccc(-c4cccc(-c5ccc6c(c5)c5cc7ccccc7cc5n6-c5ccc(-c6ccc7c(c6)sc6ccccc67)c6nccnc56)c4)cc3)c3cnncc23)cc1.
What is the InChIKey of 5-(8-dibenzothiophen-3-ylquinoxalin-5-yl)-2-[3-[4-[4-[8-(2-phenylbenzo[b]carbazol-5-yl)phthalazin-5-yl]carbazol-9-yl]phenyl]phenyl]benzo[b]carbazole?
The InChIKey is FIOQURNVDUVJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H53N7S/c1-2-14-54(15-3-1)62-31-38-79-72(47-62)74-45-58-16-4-6-18-60(58)49-84(74)96(79)81-40-37-67(76-52-93-94-53-77(76)81)70-24-13-26-82-88(70)71-23-8-10-25-78(71)95(82)65-33-28-55(29-34-65)56-20-12-21-57(44-56)63-32-39-80-73(48-63)75-46-59-17-5-7-19-61(59)50-85(75)97(80)83-41-36-66(89-90(83)92-43-42-91-89)64-30-35-69-68-22-9-11-27-86(68)98-87(69)51-64/h1-53H.
What are the key properties of 5-(8-dibenzothiophen-3-ylquinoxalin-5-yl)-2-[3-[4-[4-[8-(2-phenylbenzo[b]carbazol-5-yl)phthalazin-5-yl]carbazol-9-yl]phenyl]phenyl]benzo[b]carbazole?
5-(8-dibenzothiophen-3-ylquinoxalin-5-yl)-2-[3-[4-[4-[8-(2-phenylbenzo[b]carbazol-5-yl)phthalazin-5-yl]carbazol-9-yl]phenyl]phenyl]benzo[b]carbazole has a molecular weight of 1264.53 g/mol, XLogP of 23.87, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-dibenzothiophen-3-ylquinoxalin-5-yl)-2-[3-[4-[4-[8-(2-phenylbenzo[b]carbazol-5-yl)phthalazin-5-yl]carbazol-9-yl]phenyl]phenyl]benzo[b]carbazole is sourced from PubChem (CID 146539843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).