23-(3-indolo[1,2-a]quinoxalin-7-ylphenyl)-10-phenyl-21-oxa-10,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4,6,8,11,14(22),15,17,19-decaene

C47H28N4O — CID 145180268

IUPAC23-(3-indolo[1,2-a]quinoxalin-7-ylphenyl)-10-phenyl-21-oxa-10,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4,6,8,11,14(22),15,17,19-decaene
SMILESc1ccc(-n2c3ccccc3c3cc4c(cc32)c2c3ccccc3oc2n4-c2cccc(-c3c4ccccc4n4c3cnc3ccccc34)c2)cc1
InChIInChI=1S/C47H28N4O/c1-2-14-30(15-3-1)49-38-21-8-4-17-32(38)35-26-42-36(27-41(35)49)46-34-19-6-11-24-44(34)52-47(46)50(42)31-16-12-13-29(25-31)45-33-18-5-9-22-39(33)51-40-23-10-7-20-37(40)48-28-43(45)51/h1-28H
InChIKeyVXBLRMYZLVGYPH-UHFFFAOYSA-N
MW664.77 g/mol
LogP12.25
Rot. Bonds3

About 23-(3-indolo[1,2-a]quinoxalin-7-ylphenyl)-10-phenyl-21-oxa-10,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4,6,8,11,14(22),15,17,19-decaene

23-(3-indolo[1,2-a]quinoxalin-7-ylphenyl)-10-phenyl-21-oxa-10,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4,6,8,11,14(22),15,17,19-decaene (PubChem CID 145180268) has the molecular formula C47H28N4O and a molecular weight of 664.77 g/mol. Its IUPAC name is 23-(3-indolo[1,2-a]quinoxalin-7-ylphenyl)-10-phenyl-21-oxa-10,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4,6,8,11,14(22),15,17,19-decaene.

Molecular Properties

Compound Name23-(3-indolo[1,2-a]quinoxalin-7-ylphenyl)-10-phenyl-21-oxa-10,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4,6,8,11,14(22),15,17,19-decaene
PubChem CID145180268
Molecular FormulaC47H28N4O
Molecular Weight664.77 g/mol
Exact Mass664.23
IUPAC Name23-(3-indolo[1,2-a]quinoxalin-7-ylphenyl)-10-phenyl-21-oxa-10,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4,6,8,11,14(22),15,17,19-decaene
SMILESc1ccc(-n2c3ccccc3c3cc4c(cc32)c2c3ccccc3oc2n4-c2cccc(-c3c4ccccc4n4c3cnc3ccccc34)c2)cc1
InChIInChI=1S/C47H28N4O/c1-2-14-30(15-3-1)49-38-21-8-4-17-32(38)35-26-42-36(27-41(35)49)46-34-19-6-11-24-44(34)52-47(46)50(42)31-16-12-13-29(25-31)45-33-18-5-9-22-39(33)51-40-23-10-7-20-37(40)48-28-43(45)51/h1-28H
InChIKeyVXBLRMYZLVGYPH-UHFFFAOYSA-N
XLogP12.25
TPSA40.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.77
LogP ≤ 512.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 23-(3-indolo[1,2-a]quinoxalin-7-ylphenyl)-10-phenyl-21-oxa-10,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4,6,8,11,14(22),15,17,19-decaene with MolForge

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Related Compounds

6-[4-[3-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[2,3-b]indole
CID 165168862
9-[4-[9-(3-dibenzofuran-3-ylphenyl)carbazol-3-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole
CID 165168773
6-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-b]indole
CID 165168869
5-(3-indolo[1,2-a]quinoxalin-7-ylphenyl)-11,11-diphenylindeno[1,2-b]carbazole
CID 145180297
9-([1]benzofuro[2,3-b]indol-6-yl)-6-phenyl-[1]benzofuro[2,3-b]indole
CID 144751633
18-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14-(9-phenylcarbazol-3-yl)-27-oxa-2,9,18-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),3,5,7,9,11(19),12(17),13,15,21,23,25-dodecaene
CID 129128250
3-[3-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole
CID 165168729
6-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-[1]benzofuro[2,3-b]indole;6-[4-(3-carbazol-9-yl-6-phenylcarbazol-9-yl)phenyl]-[1]benzofuro[2,3-b]indole;6-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-b]indole;6-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-[1]benzofuro[2,3-b]indole;6-[4-[3-(3,5-diphenylphenyl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-b]indole;6-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-b]indole;6-[4-(3-phenylcarbazol-9-yl)phenyl]-[1]benzofuro[2,3-b]indole;6-[4-[3-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-b]indole
CID 167550552
7-[4-(3-carbazol-9-ylphenyl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole
CID 165168843
6-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-b]indole
CID 165169108
9-(8-carbazol-9-yldibenzofuran-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;9-[8-(4-carbazol-9-ylphenyl)dibenzofuran-2-yl]-6-phenyl-[1]benzofuro[2,3-b]indole
CID 167587667
6-[4-(9-phenylcarbazol-2-yl)phenyl]-[1]benzofuro[2,3-b]indole
CID 165168964

Frequently Asked Questions

What is the IUPAC name of 23-(3-indolo[1,2-a]quinoxalin-7-ylphenyl)-10-phenyl-21-oxa-10,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4,6,8,11,14(22),15,17,19-decaene?
The IUPAC name of 23-(3-indolo[1,2-a]quinoxalin-7-ylphenyl)-10-phenyl-21-oxa-10,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4,6,8,11,14(22),15,17,19-decaene (CID 145180268) is 23-(3-indolo[1,2-a]quinoxalin-7-ylphenyl)-10-phenyl-21-oxa-10,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4,6,8,11,14(22),15,17,19-decaene.
What is the SMILES notation for 23-(3-indolo[1,2-a]quinoxalin-7-ylphenyl)-10-phenyl-21-oxa-10,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4,6,8,11,14(22),15,17,19-decaene?
The canonical SMILES for 23-(3-indolo[1,2-a]quinoxalin-7-ylphenyl)-10-phenyl-21-oxa-10,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4,6,8,11,14(22),15,17,19-decaene is c1ccc(-n2c3ccccc3c3cc4c(cc32)c2c3ccccc3oc2n4-c2cccc(-c3c4ccccc4n4c3cnc3ccccc34)c2)cc1.
What is the InChIKey of 23-(3-indolo[1,2-a]quinoxalin-7-ylphenyl)-10-phenyl-21-oxa-10,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4,6,8,11,14(22),15,17,19-decaene?
The InChIKey is VXBLRMYZLVGYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H28N4O/c1-2-14-30(15-3-1)49-38-21-8-4-17-32(38)35-26-42-36(27-41(35)49)46-34-19-6-11-24-44(34)52-47(46)50(42)31-16-12-13-29(25-31)45-33-18-5-9-22-39(33)51-40-23-10-7-20-37(40)48-28-43(45)51/h1-28H.
What are the key properties of 23-(3-indolo[1,2-a]quinoxalin-7-ylphenyl)-10-phenyl-21-oxa-10,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4,6,8,11,14(22),15,17,19-decaene?
23-(3-indolo[1,2-a]quinoxalin-7-ylphenyl)-10-phenyl-21-oxa-10,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4,6,8,11,14(22),15,17,19-decaene has a molecular weight of 664.77 g/mol, XLogP of 12.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 23-(3-indolo[1,2-a]quinoxalin-7-ylphenyl)-10-phenyl-21-oxa-10,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4,6,8,11,14(22),15,17,19-decaene is sourced from PubChem (CID 145180268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).