4-[4-[1,4-di(carbazol-9-yl)indolo[3,2-b]quinoxalin-6-yl]phenyl]-2-phenyl-1,3-benzoxazole

C57H34N6O — CID 140917982

IUPAC4-[4-[1,4-di(carbazol-9-yl)indolo[3,2-b]quinoxalin-6-yl]phenyl]-2-phenyl-1,3-benzoxazole
SMILESc1ccc(-c2nc3c(-c4ccc(-n5c6ccccc6c6nc7c(-n8c9ccccc9c9ccccc98)ccc(-n8c9ccccc9c9ccccc98)c7nc65)cc4)cccc3o2)cc1
InChIInChI=1S/C57H34N6O/c1-2-15-36(16-3-1)57-60-52-38(22-14-28-51(52)64-57)35-29-31-37(32-30-35)61-48-27-13-8-21-43(48)53-56(61)59-55-50(63-46-25-11-6-19-41(46)42-20-7-12-26-47(42)63)34-33-49(54(55)58-53)62-44-23-9-4-17-39(44)40-18-5-10-24-45(40)62/h1-34H
InChIKeyIZIRWEZFVZKZIT-UHFFFAOYSA-N
MW818.94 g/mol
LogP14.40
Rot. Bonds5

About 4-[4-[1,4-di(carbazol-9-yl)indolo[3,2-b]quinoxalin-6-yl]phenyl]-2-phenyl-1,3-benzoxazole

4-[4-[1,4-di(carbazol-9-yl)indolo[3,2-b]quinoxalin-6-yl]phenyl]-2-phenyl-1,3-benzoxazole (PubChem CID 140917982) has the molecular formula C57H34N6O and a molecular weight of 818.94 g/mol. Its IUPAC name is 4-[4-[1,4-di(carbazol-9-yl)indolo[3,2-b]quinoxalin-6-yl]phenyl]-2-phenyl-1,3-benzoxazole.

Molecular Properties

Compound Name4-[4-[1,4-di(carbazol-9-yl)indolo[3,2-b]quinoxalin-6-yl]phenyl]-2-phenyl-1,3-benzoxazole
PubChem CID140917982
Molecular FormulaC57H34N6O
Molecular Weight818.94 g/mol
Exact Mass818.28
IUPAC Name4-[4-[1,4-di(carbazol-9-yl)indolo[3,2-b]quinoxalin-6-yl]phenyl]-2-phenyl-1,3-benzoxazole
SMILESc1ccc(-c2nc3c(-c4ccc(-n5c6ccccc6c6nc7c(-n8c9ccccc9c9ccccc98)ccc(-n8c9ccccc9c9ccccc98)c7nc65)cc4)cccc3o2)cc1
InChIInChI=1S/C57H34N6O/c1-2-15-36(16-3-1)57-60-52-38(22-14-28-51(52)64-57)35-29-31-37(32-30-35)61-48-27-13-8-21-43(48)53-56(61)59-55-50(63-46-25-11-6-19-41(46)42-20-7-12-26-47(42)63)34-33-49(54(55)58-53)62-44-23-9-4-17-39(44)40-18-5-10-24-45(40)62/h1-34H
InChIKeyIZIRWEZFVZKZIT-UHFFFAOYSA-N
XLogP14.40
TPSA66.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500818.94
LogP ≤ 514.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-naphthalen-1-yl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole
CID 59228162
2-[3,4-di(carbazol-9-yl)phenyl]-4,6-diphenyl-1,3-benzoxazole
CID 137473426
1,4-di(carbazol-9-yl)-6-(3-carbazol-9-ylphenyl)indolo[3,2-b]quinoxaline
CID 140917920
2-[3-carbazol-9-yl-5-(4-carbazol-9-ylphenyl)phenyl]-4,6-diphenyl-1,3-benzoxazole
CID 137473457
4-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzoxazole
CID 171756550
4-(1-methylcyclobutyl)-2-[4-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-1,3-benzoxazole
CID 130382403
2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3-benzoxazole
CID 137473397
2-(4-carbazol-9-ylphenyl)-6-phenyl-1,3-benzoxazole
CID 59228217
9-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-7-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine
CID 167123619
2-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-1,3-benzoxazole
CID 156661260
4-tert-butyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole
CID 59228094
2-[4-[3-(4-naphthalen-1-ylphenyl)carbazol-9-yl]phenyl]-1,3-benzoxazole
CID 59228230

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1,4-di(carbazol-9-yl)indolo[3,2-b]quinoxalin-6-yl]phenyl]-2-phenyl-1,3-benzoxazole?
The IUPAC name of 4-[4-[1,4-di(carbazol-9-yl)indolo[3,2-b]quinoxalin-6-yl]phenyl]-2-phenyl-1,3-benzoxazole (CID 140917982) is 4-[4-[1,4-di(carbazol-9-yl)indolo[3,2-b]quinoxalin-6-yl]phenyl]-2-phenyl-1,3-benzoxazole.
What is the SMILES notation for 4-[4-[1,4-di(carbazol-9-yl)indolo[3,2-b]quinoxalin-6-yl]phenyl]-2-phenyl-1,3-benzoxazole?
The canonical SMILES for 4-[4-[1,4-di(carbazol-9-yl)indolo[3,2-b]quinoxalin-6-yl]phenyl]-2-phenyl-1,3-benzoxazole is c1ccc(-c2nc3c(-c4ccc(-n5c6ccccc6c6nc7c(-n8c9ccccc9c9ccccc98)ccc(-n8c9ccccc9c9ccccc98)c7nc65)cc4)cccc3o2)cc1.
What is the InChIKey of 4-[4-[1,4-di(carbazol-9-yl)indolo[3,2-b]quinoxalin-6-yl]phenyl]-2-phenyl-1,3-benzoxazole?
The InChIKey is IZIRWEZFVZKZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H34N6O/c1-2-15-36(16-3-1)57-60-52-38(22-14-28-51(52)64-57)35-29-31-37(32-30-35)61-48-27-13-8-21-43(48)53-56(61)59-55-50(63-46-25-11-6-19-41(46)42-20-7-12-26-47(42)63)34-33-49(54(55)58-53)62-44-23-9-4-17-39(44)40-18-5-10-24-45(40)62/h1-34H.
What are the key properties of 4-[4-[1,4-di(carbazol-9-yl)indolo[3,2-b]quinoxalin-6-yl]phenyl]-2-phenyl-1,3-benzoxazole?
4-[4-[1,4-di(carbazol-9-yl)indolo[3,2-b]quinoxalin-6-yl]phenyl]-2-phenyl-1,3-benzoxazole has a molecular weight of 818.94 g/mol, XLogP of 14.40, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1,4-di(carbazol-9-yl)indolo[3,2-b]quinoxalin-6-yl]phenyl]-2-phenyl-1,3-benzoxazole is sourced from PubChem (CID 140917982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).