8-[2-([1]benzofuro[3,2-b]carbazol-11-yl)-1,3-benzothiazol-5-yl]-11-[5-[11-(1-methylbenzimidazol-2-yl)-[1]benzofuro[3,2-b]carbazol-8-yl]-1,3-benzoxazol-2-yl]-[1]benzofuro[3,2-b]carbazole

C76H41N7O4S — CID 146407252

IUPAC8-[2-([1]benzofuro[3,2-b]carbazol-11-yl)-1,3-benzothiazol-5-yl]-11-[5-[11-(1-methylbenzimidazol-2-yl)-[1]benzofuro[3,2-b]carbazol-8-yl]-1,3-benzoxazol-2-yl]-[1]benzofuro[3,2-b]carbazole
SMILESCn1c(-n2c3ccc(-c4ccc5oc(-n6c7ccc(-c8ccc9sc(-n%10c%11ccccc%11c%11cc%12oc%13ccccc%13c%12cc%11%10)nc9c8)cc7c7cc8oc9ccccc9c8cc76)nc5c4)cc3c3cc4oc5ccccc5c4cc32)nc2ccccc21
InChIInChI=1S/C76H41N7O4S/c1-80-62-18-8-6-16-56(62)77-74(80)81-60-26-22-40(30-48(60)51-38-71-53(34-63(51)81)45-13-3-9-19-66(45)85-71)42-24-28-69-57(32-42)78-75(87-69)82-61-27-23-41(31-49(61)52-39-72-54(35-64(52)82)46-14-4-10-20-67(46)86-72)43-25-29-73-58(33-43)79-76(88-73)83-59-17-7-2-12-44(59)50-37-70-55(36-65(50)83)47-15-5-11-21-68(47)84-70/h2-39H,1H3
InChIKeyDJDWAEUDAWLACM-UHFFFAOYSA-N
MW1148.28 g/mol
LogP20.65
Rot. Bonds5

About 8-[2-([1]benzofuro[3,2-b]carbazol-11-yl)-1,3-benzothiazol-5-yl]-11-[5-[11-(1-methylbenzimidazol-2-yl)-[1]benzofuro[3,2-b]carbazol-8-yl]-1,3-benzoxazol-2-yl]-[1]benzofuro[3,2-b]carbazole

8-[2-([1]benzofuro[3,2-b]carbazol-11-yl)-1,3-benzothiazol-5-yl]-11-[5-[11-(1-methylbenzimidazol-2-yl)-[1]benzofuro[3,2-b]carbazol-8-yl]-1,3-benzoxazol-2-yl]-[1]benzofuro[3,2-b]carbazole (PubChem CID 146407252) has the molecular formula C76H41N7O4S and a molecular weight of 1148.28 g/mol. Its IUPAC name is 8-[2-([1]benzofuro[3,2-b]carbazol-11-yl)-1,3-benzothiazol-5-yl]-11-[5-[11-(1-methylbenzimidazol-2-yl)-[1]benzofuro[3,2-b]carbazol-8-yl]-1,3-benzoxazol-2-yl]-[1]benzofuro[3,2-b]carbazole.

Molecular Properties

Compound Name8-[2-([1]benzofuro[3,2-b]carbazol-11-yl)-1,3-benzothiazol-5-yl]-11-[5-[11-(1-methylbenzimidazol-2-yl)-[1]benzofuro[3,2-b]carbazol-8-yl]-1,3-benzoxazol-2-yl]-[1]benzofuro[3,2-b]carbazole
PubChem CID146407252
Molecular FormulaC76H41N7O4S
Molecular Weight1148.28 g/mol
Exact Mass1147.29
IUPAC Name8-[2-([1]benzofuro[3,2-b]carbazol-11-yl)-1,3-benzothiazol-5-yl]-11-[5-[11-(1-methylbenzimidazol-2-yl)-[1]benzofuro[3,2-b]carbazol-8-yl]-1,3-benzoxazol-2-yl]-[1]benzofuro[3,2-b]carbazole
SMILESCn1c(-n2c3ccc(-c4ccc5oc(-n6c7ccc(-c8ccc9sc(-n%10c%11ccccc%11c%11cc%12oc%13ccccc%13c%12cc%11%10)nc9c8)cc7c7cc8oc9ccccc9c8cc76)nc5c4)cc3c3cc4oc5ccccc5c4cc32)nc2ccccc21
InChIInChI=1S/C76H41N7O4S/c1-80-62-18-8-6-16-56(62)77-74(80)81-60-26-22-40(30-48(60)51-38-71-53(34-63(51)81)45-13-3-9-19-66(45)85-71)42-24-28-69-57(32-42)78-75(87-69)82-61-27-23-41(31-49(61)52-39-72-54(35-64(52)82)46-14-4-10-20-67(46)86-72)43-25-29-73-58(33-43)79-76(88-73)83-59-17-7-2-12-44(59)50-37-70-55(36-65(50)83)47-15-5-11-21-68(47)84-70/h2-39H,1H3
InChIKeyDJDWAEUDAWLACM-UHFFFAOYSA-N
XLogP20.65
TPSA110.95 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001148.28
LogP ≤ 520.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 8-[2-([1]benzofuro[3,2-b]carbazol-11-yl)-1,3-benzothiazol-5-yl]-11-[5-[11-(1-methylbenzimidazol-2-yl)-[1]benzofuro[3,2-b]carbazol-8-yl]-1,3-benzoxazol-2-yl]-[1]benzofuro[3,2-b]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[2-([1]benzofuro[3,2-b]carbazol-11-yl)-1,3-benzothiazol-5-yl]-11-[5-[11-(1-methylbenzimidazol-2-yl)-[1]benzofuro[3,2-b]carbazol-8-yl]-1,3-benzoxazol-2-yl]-[1]benzofuro[3,2-b]carbazole?
The IUPAC name of 8-[2-([1]benzofuro[3,2-b]carbazol-11-yl)-1,3-benzothiazol-5-yl]-11-[5-[11-(1-methylbenzimidazol-2-yl)-[1]benzofuro[3,2-b]carbazol-8-yl]-1,3-benzoxazol-2-yl]-[1]benzofuro[3,2-b]carbazole (CID 146407252) is 8-[2-([1]benzofuro[3,2-b]carbazol-11-yl)-1,3-benzothiazol-5-yl]-11-[5-[11-(1-methylbenzimidazol-2-yl)-[1]benzofuro[3,2-b]carbazol-8-yl]-1,3-benzoxazol-2-yl]-[1]benzofuro[3,2-b]carbazole.
What is the SMILES notation for 8-[2-([1]benzofuro[3,2-b]carbazol-11-yl)-1,3-benzothiazol-5-yl]-11-[5-[11-(1-methylbenzimidazol-2-yl)-[1]benzofuro[3,2-b]carbazol-8-yl]-1,3-benzoxazol-2-yl]-[1]benzofuro[3,2-b]carbazole?
The canonical SMILES for 8-[2-([1]benzofuro[3,2-b]carbazol-11-yl)-1,3-benzothiazol-5-yl]-11-[5-[11-(1-methylbenzimidazol-2-yl)-[1]benzofuro[3,2-b]carbazol-8-yl]-1,3-benzoxazol-2-yl]-[1]benzofuro[3,2-b]carbazole is Cn1c(-n2c3ccc(-c4ccc5oc(-n6c7ccc(-c8ccc9sc(-n%10c%11ccccc%11c%11cc%12oc%13ccccc%13c%12cc%11%10)nc9c8)cc7c7cc8oc9ccccc9c8cc76)nc5c4)cc3c3cc4oc5ccccc5c4cc32)nc2ccccc21.
What is the InChIKey of 8-[2-([1]benzofuro[3,2-b]carbazol-11-yl)-1,3-benzothiazol-5-yl]-11-[5-[11-(1-methylbenzimidazol-2-yl)-[1]benzofuro[3,2-b]carbazol-8-yl]-1,3-benzoxazol-2-yl]-[1]benzofuro[3,2-b]carbazole?
The InChIKey is DJDWAEUDAWLACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H41N7O4S/c1-80-62-18-8-6-16-56(62)77-74(80)81-60-26-22-40(30-48(60)51-38-71-53(34-63(51)81)45-13-3-9-19-66(45)85-71)42-24-28-69-57(32-42)78-75(87-69)82-61-27-23-41(31-49(61)52-39-72-54(35-64(52)82)46-14-4-10-20-67(46)86-72)43-25-29-73-58(33-43)79-76(88-73)83-59-17-7-2-12-44(59)50-37-70-55(36-65(50)83)47-15-5-11-21-68(47)84-70/h2-39H,1H3.
What are the key properties of 8-[2-([1]benzofuro[3,2-b]carbazol-11-yl)-1,3-benzothiazol-5-yl]-11-[5-[11-(1-methylbenzimidazol-2-yl)-[1]benzofuro[3,2-b]carbazol-8-yl]-1,3-benzoxazol-2-yl]-[1]benzofuro[3,2-b]carbazole?
8-[2-([1]benzofuro[3,2-b]carbazol-11-yl)-1,3-benzothiazol-5-yl]-11-[5-[11-(1-methylbenzimidazol-2-yl)-[1]benzofuro[3,2-b]carbazol-8-yl]-1,3-benzoxazol-2-yl]-[1]benzofuro[3,2-b]carbazole has a molecular weight of 1148.28 g/mol, XLogP of 20.65, 5 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-([1]benzofuro[3,2-b]carbazol-11-yl)-1,3-benzothiazol-5-yl]-11-[5-[11-(1-methylbenzimidazol-2-yl)-[1]benzofuro[3,2-b]carbazol-8-yl]-1,3-benzoxazol-2-yl]-[1]benzofuro[3,2-b]carbazole is sourced from PubChem (CID 146407252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).