6-[4-[9-(4-indolo[3,2-b]quinoxalin-6-ylphenyl)fluoren-9-yl]phenyl]indolo[3,2-b]quinoxaline

C53H32N6 — CID 58544542

IUPAC6-[4-[9-(4-indolo[3,2-b]quinoxalin-6-ylphenyl)fluoren-9-yl]phenyl]indolo[3,2-b]quinoxaline
SMILESc1ccc2c(c1)-c1ccccc1C2(c1ccc(-n2c3ccccc3c3nc4ccccc4nc32)cc1)c1ccc(-n2c3ccccc3c3nc4ccccc4nc32)cc1
InChIInChI=1S/C53H32N6/c1-5-17-41-37(13-1)38-14-2-6-18-42(38)53(41,33-25-29-35(30-26-33)58-47-23-11-3-15-39(47)49-51(58)56-45-21-9-7-19-43(45)54-49)34-27-31-36(32-28-34)59-48-24-12-4-16-40(48)50-52(59)57-46-22-10-8-20-44(46)55-50/h1-32H
InChIKeyDGYLGERAJFZCNE-UHFFFAOYSA-N
MW752.88 g/mol
LogP12.13
Rot. Bonds4

About 6-[4-[9-(4-indolo[3,2-b]quinoxalin-6-ylphenyl)fluoren-9-yl]phenyl]indolo[3,2-b]quinoxaline

6-[4-[9-(4-indolo[3,2-b]quinoxalin-6-ylphenyl)fluoren-9-yl]phenyl]indolo[3,2-b]quinoxaline (PubChem CID 58544542) has the molecular formula C53H32N6 and a molecular weight of 752.88 g/mol. Its IUPAC name is 6-[4-[9-(4-indolo[3,2-b]quinoxalin-6-ylphenyl)fluoren-9-yl]phenyl]indolo[3,2-b]quinoxaline.

Molecular Properties

Compound Name6-[4-[9-(4-indolo[3,2-b]quinoxalin-6-ylphenyl)fluoren-9-yl]phenyl]indolo[3,2-b]quinoxaline
PubChem CID58544542
Molecular FormulaC53H32N6
Molecular Weight752.88 g/mol
Exact Mass752.27
IUPAC Name6-[4-[9-(4-indolo[3,2-b]quinoxalin-6-ylphenyl)fluoren-9-yl]phenyl]indolo[3,2-b]quinoxaline
SMILESc1ccc2c(c1)-c1ccccc1C2(c1ccc(-n2c3ccccc3c3nc4ccccc4nc32)cc1)c1ccc(-n2c3ccccc3c3nc4ccccc4nc32)cc1
InChIInChI=1S/C53H32N6/c1-5-17-41-37(13-1)38-14-2-6-18-42(38)53(41,33-25-29-35(30-26-33)58-47-23-11-3-15-39(47)49-51(58)56-45-21-9-7-19-43(45)54-49)34-27-31-36(32-28-34)59-48-24-12-4-16-40(48)50-52(59)57-46-22-10-8-20-44(46)55-50/h1-32H
InChIKeyDGYLGERAJFZCNE-UHFFFAOYSA-N
XLogP12.13
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.88
LogP ≤ 512.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[9-(4-indolo[3,2-b]quinoxalin-6-ylphenyl)fluoren-9-yl]phenyl]indolo[3,2-b]quinoxaline?
The IUPAC name of 6-[4-[9-(4-indolo[3,2-b]quinoxalin-6-ylphenyl)fluoren-9-yl]phenyl]indolo[3,2-b]quinoxaline (CID 58544542) is 6-[4-[9-(4-indolo[3,2-b]quinoxalin-6-ylphenyl)fluoren-9-yl]phenyl]indolo[3,2-b]quinoxaline.
What is the SMILES notation for 6-[4-[9-(4-indolo[3,2-b]quinoxalin-6-ylphenyl)fluoren-9-yl]phenyl]indolo[3,2-b]quinoxaline?
The canonical SMILES for 6-[4-[9-(4-indolo[3,2-b]quinoxalin-6-ylphenyl)fluoren-9-yl]phenyl]indolo[3,2-b]quinoxaline is c1ccc2c(c1)-c1ccccc1C2(c1ccc(-n2c3ccccc3c3nc4ccccc4nc32)cc1)c1ccc(-n2c3ccccc3c3nc4ccccc4nc32)cc1.
What is the InChIKey of 6-[4-[9-(4-indolo[3,2-b]quinoxalin-6-ylphenyl)fluoren-9-yl]phenyl]indolo[3,2-b]quinoxaline?
The InChIKey is DGYLGERAJFZCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32N6/c1-5-17-41-37(13-1)38-14-2-6-18-42(38)53(41,33-25-29-35(30-26-33)58-47-23-11-3-15-39(47)49-51(58)56-45-21-9-7-19-43(45)54-49)34-27-31-36(32-28-34)59-48-24-12-4-16-40(48)50-52(59)57-46-22-10-8-20-44(46)55-50/h1-32H.
What are the key properties of 6-[4-[9-(4-indolo[3,2-b]quinoxalin-6-ylphenyl)fluoren-9-yl]phenyl]indolo[3,2-b]quinoxaline?
6-[4-[9-(4-indolo[3,2-b]quinoxalin-6-ylphenyl)fluoren-9-yl]phenyl]indolo[3,2-b]quinoxaline has a molecular weight of 752.88 g/mol, XLogP of 12.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[9-(4-indolo[3,2-b]quinoxalin-6-ylphenyl)fluoren-9-yl]phenyl]indolo[3,2-b]quinoxaline is sourced from PubChem (CID 58544542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).