8-[9-[9-[2-[2-(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)phenyl]phenyl]carbazol-3-yl]carbazol-2-yl]-4-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]benzimidazolo[2,1-b][1,3]benzoxazole

C98H58N8OS — CID 146632847

IUPAC8-[9-[9-[2-[2-(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)phenyl]phenyl]carbazol-3-yl]carbazol-2-yl]-4-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]benzimidazolo[2,1-b][1,3]benzoxazole
SMILESc1ccc(-c2cccc3c2nc2sc4ccccc4n23)c(-c2ccccc2-n2c3ccccc3c3cc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)nc6oc8c(-c9ccccc9-c9ccccc9-n9c%10ccccc%10c%10cc(-n%11c%12ccccc%12c%12ccccc%12%11)ccc%109)cccc8n67)cc54)ccc32)c1
InChIInChI=1S/C98H58N8OS/c1-3-25-65(75-34-21-44-91-95(75)100-98-106(91)90-43-19-20-46-94(90)108-98)63(23-1)67-27-5-15-39-83(67)103-86-42-18-11-33-73(86)78-58-62(50-54-88(78)103)102-82-38-14-9-31-71(82)74-51-47-60(56-93(74)102)59-48-52-89-79(55-59)99-97-105(89)92-45-22-35-76(96(92)107-97)66-26-4-2-24-64(66)68-28-6-16-40-84(68)104-85-41-17-10-32-72(85)77-57-61(49-53-87(77)104)101-80-36-12-7-29-69(80)70-30-8-13-37-81(70)101/h1-58H
InChIKeyPKRQSVHLCMHEES-UHFFFAOYSA-N
MW1395.66 g/mol
LogP25.97
Rot. Bonds9

About 8-[9-[9-[2-[2-(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)phenyl]phenyl]carbazol-3-yl]carbazol-2-yl]-4-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]benzimidazolo[2,1-b][1,3]benzoxazole

8-[9-[9-[2-[2-(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)phenyl]phenyl]carbazol-3-yl]carbazol-2-yl]-4-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]benzimidazolo[2,1-b][1,3]benzoxazole (PubChem CID 146632847) has the molecular formula C98H58N8OS and a molecular weight of 1395.66 g/mol. Its IUPAC name is 8-[9-[9-[2-[2-(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)phenyl]phenyl]carbazol-3-yl]carbazol-2-yl]-4-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]benzimidazolo[2,1-b][1,3]benzoxazole.

Molecular Properties

Compound Name8-[9-[9-[2-[2-(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)phenyl]phenyl]carbazol-3-yl]carbazol-2-yl]-4-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]benzimidazolo[2,1-b][1,3]benzoxazole
PubChem CID146632847
Molecular FormulaC98H58N8OS
Molecular Weight1395.66 g/mol
Exact Mass1394.45
IUPAC Name8-[9-[9-[2-[2-(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)phenyl]phenyl]carbazol-3-yl]carbazol-2-yl]-4-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]benzimidazolo[2,1-b][1,3]benzoxazole
SMILESc1ccc(-c2cccc3c2nc2sc4ccccc4n23)c(-c2ccccc2-n2c3ccccc3c3cc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)nc6oc8c(-c9ccccc9-c9ccccc9-n9c%10ccccc%10c%10cc(-n%11c%12ccccc%12c%12ccccc%12%11)ccc%109)cccc8n67)cc54)ccc32)c1
InChIInChI=1S/C98H58N8OS/c1-3-25-65(75-34-21-44-91-95(75)100-98-106(91)90-43-19-20-46-94(90)108-98)63(23-1)67-27-5-15-39-83(67)103-86-42-18-11-33-73(86)78-58-62(50-54-88(78)103)102-82-38-14-9-31-71(82)74-51-47-60(56-93(74)102)59-48-52-89-79(55-59)99-97-105(89)92-45-22-35-76(96(92)107-97)66-26-4-2-24-64(66)68-28-6-16-40-84(68)104-85-41-17-10-32-72(85)77-57-61(49-53-87(77)104)101-80-36-12-7-29-69(80)70-30-8-13-37-81(70)101/h1-58H
InChIKeyPKRQSVHLCMHEES-UHFFFAOYSA-N
XLogP25.97
TPSA67.46 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms108
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001395.66
LogP ≤ 525.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 8-[9-[9-[2-[2-(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)phenyl]phenyl]carbazol-3-yl]carbazol-2-yl]-4-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]benzimidazolo[2,1-b][1,3]benzoxazole with MolForge

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Related Compounds

4-[9-(3-methylphenyl)carbazol-3-yl]benzimidazolo[2,1-b][1,3]benzoxazole
CID 134409676
6-(9-dibenzothiophen-2-ylcarbazol-3-yl)-2-phenyl-9-(2-phenylphenyl)carbazole
CID 170072587
9-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-2-[9-[9-[6-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]carbazol-3-yl]carbazol-2-yl]carbazole-3-carbonitrile
CID 156574216
5-(3-carbazol-9-ylcarbazol-9-yl)-[1,3]thiazolo[3,2-a]benzimidazole;6-(3-carbazol-9-ylcarbazol-9-yl)-[1,3]thiazolo[3,2-a]benzimidazole;1-(3-triphenylen-2-ylphenyl)-[1,3]oxazolo[3,2-a]benzimidazole;5-(3-triphenylen-2-ylphenyl)-[1,3]thiazolo[3,2-a]benzimidazole
CID 161163659
3-[9-(2-naphthalen-1-ylphenyl)carbazol-2-yl]-9-(3-phenylphenyl)carbazole
CID 142315055
3-carbazol-9-yl-9-[6-carbazol-9-yl-4-(2-carbazol-9-ylphenyl)-2-pyridinyl]carbazole
CID 146626081
2-[2-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-1,3-benzothiazole;2-[2-[5-(4-phenylphenyl)indolo[3,2-b]carbazol-11-yl]phenyl]-1,3-benzothiazole;2-[3-[5-(4-phenylphenyl)indolo[3,2-b]carbazol-11-yl]phenyl]-1,3-benzothiazole;2-[4-[5-(4-phenylphenyl)indolo[3,2-b]carbazol-11-yl]phenyl]-1,3-benzothiazole;2-[4-[11-(3-phenylphenyl)indolo[3,2-b]carbazol-5-yl]phenyl]-1,3-benzothiazole
CID 160868466
6-(9-dibenzothiophen-2-ylcarbazol-3-yl)-1-phenyl-9-(2-phenylphenyl)carbazole
CID 170072459
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole
CID 146226350
2-[9-(2-naphthalen-1-ylphenyl)carbazol-2-yl]-9-(3-phenylphenyl)carbazole
CID 142315065
3-[9-(2-phenylphenyl)carbazol-2-yl]-9-[3-(3-phenylphenyl)phenyl]carbazole
CID 142315053
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(2-phenylphenyl)carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylphenyl)phenyl]carbazole;9-phenyl-6-(9-phenylcarbazol-3-yl)-2-(3-phenylphenyl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;9-[4-(3-phenylphenyl)phenyl]-3-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazole
CID 158933707

Frequently Asked Questions

What is the IUPAC name of 8-[9-[9-[2-[2-(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)phenyl]phenyl]carbazol-3-yl]carbazol-2-yl]-4-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]benzimidazolo[2,1-b][1,3]benzoxazole?
The IUPAC name of 8-[9-[9-[2-[2-(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)phenyl]phenyl]carbazol-3-yl]carbazol-2-yl]-4-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]benzimidazolo[2,1-b][1,3]benzoxazole (CID 146632847) is 8-[9-[9-[2-[2-(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)phenyl]phenyl]carbazol-3-yl]carbazol-2-yl]-4-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]benzimidazolo[2,1-b][1,3]benzoxazole.
What is the SMILES notation for 8-[9-[9-[2-[2-(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)phenyl]phenyl]carbazol-3-yl]carbazol-2-yl]-4-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]benzimidazolo[2,1-b][1,3]benzoxazole?
The canonical SMILES for 8-[9-[9-[2-[2-(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)phenyl]phenyl]carbazol-3-yl]carbazol-2-yl]-4-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]benzimidazolo[2,1-b][1,3]benzoxazole is c1ccc(-c2cccc3c2nc2sc4ccccc4n23)c(-c2ccccc2-n2c3ccccc3c3cc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)nc6oc8c(-c9ccccc9-c9ccccc9-n9c%10ccccc%10c%10cc(-n%11c%12ccccc%12c%12ccccc%12%11)ccc%109)cccc8n67)cc54)ccc32)c1.
What is the InChIKey of 8-[9-[9-[2-[2-(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)phenyl]phenyl]carbazol-3-yl]carbazol-2-yl]-4-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]benzimidazolo[2,1-b][1,3]benzoxazole?
The InChIKey is PKRQSVHLCMHEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C98H58N8OS/c1-3-25-65(75-34-21-44-91-95(75)100-98-106(91)90-43-19-20-46-94(90)108-98)63(23-1)67-27-5-15-39-83(67)103-86-42-18-11-33-73(86)78-58-62(50-54-88(78)103)102-82-38-14-9-31-71(82)74-51-47-60(56-93(74)102)59-48-52-89-79(55-59)99-97-105(89)92-45-22-35-76(96(92)107-97)66-26-4-2-24-64(66)68-28-6-16-40-84(68)104-85-41-17-10-32-72(85)77-57-61(49-53-87(77)104)101-80-36-12-7-29-69(80)70-30-8-13-37-81(70)101/h1-58H.
What are the key properties of 8-[9-[9-[2-[2-(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)phenyl]phenyl]carbazol-3-yl]carbazol-2-yl]-4-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]benzimidazolo[2,1-b][1,3]benzoxazole?
8-[9-[9-[2-[2-(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)phenyl]phenyl]carbazol-3-yl]carbazol-2-yl]-4-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]benzimidazolo[2,1-b][1,3]benzoxazole has a molecular weight of 1395.66 g/mol, XLogP of 25.97, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[9-[9-[2-[2-(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)phenyl]phenyl]carbazol-3-yl]carbazol-2-yl]-4-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]benzimidazolo[2,1-b][1,3]benzoxazole is sourced from PubChem (CID 146632847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).