12-(2,3-diphenylquinoxalin-5-yl)-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene

C48H30N4 — CID 154952711

IUPAC12-(2,3-diphenylquinoxalin-5-yl)-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
SMILESc1ccc(-c2nc3cccc(-n4c5cc6c(cc5c5c7ccccc7ccc54)c4ccccc4n6-c4ccccc4)c3nc2-c2ccccc2)cc1
InChIInChI=1S/C48H30N4/c1-4-16-32(17-5-1)46-47(33-18-6-2-7-19-33)50-48-39(49-46)24-14-26-42(48)52-41-28-27-31-15-10-11-22-35(31)45(41)38-29-37-36-23-12-13-25-40(36)51(43(37)30-44(38)52)34-20-8-3-9-21-34/h1-30H
InChIKeyDITJEQPBAGJMTD-UHFFFAOYSA-N
MW662.80 g/mol
LogP12.31
Rot. Bonds4

About 12-(2,3-diphenylquinoxalin-5-yl)-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene

12-(2,3-diphenylquinoxalin-5-yl)-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene (PubChem CID 154952711) has the molecular formula C48H30N4 and a molecular weight of 662.80 g/mol. Its IUPAC name is 12-(2,3-diphenylquinoxalin-5-yl)-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene.

Molecular Properties

Compound Name12-(2,3-diphenylquinoxalin-5-yl)-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
PubChem CID154952711
Molecular FormulaC48H30N4
Molecular Weight662.80 g/mol
Exact Mass662.25
IUPAC Name12-(2,3-diphenylquinoxalin-5-yl)-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
SMILESc1ccc(-c2nc3cccc(-n4c5cc6c(cc5c5c7ccccc7ccc54)c4ccccc4n6-c4ccccc4)c3nc2-c2ccccc2)cc1
InChIInChI=1S/C48H30N4/c1-4-16-32(17-5-1)46-47(33-18-6-2-7-19-33)50-48-39(49-46)24-14-26-42(48)52-41-28-27-31-15-10-11-22-35(31)45(41)38-29-37-36-23-12-13-25-40(36)51(43(37)30-44(38)52)34-20-8-3-9-21-34/h1-30H
InChIKeyDITJEQPBAGJMTD-UHFFFAOYSA-N
XLogP12.31
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.80
LogP ≤ 512.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 12-(2,3-diphenylquinoxalin-5-yl)-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene with MolForge

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Related Compounds

5-[2,3-bis(4-phenylphenyl)quinoxalin-5-yl]-7-phenylindolo[2,3-b]carbazole
CID 154952283
12-phenyl-16-[4-(3-phenylquinoxalin-2-yl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 134222275
7-(2,3-diphenylquinoxalin-5-yl)-9-(9-phenylcarbazol-1-yl)benzo[c]carbazole
CID 154952593
12-phenyl-16-[2-phenyl-3-(4-phenylphenyl)quinoxalin-6-yl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 154952513
7-(2,3-diphenylquinoxalin-5-yl)-9-phenylbenzo[c]carbazole
CID 154952692
16-(3-naphthalen-1-ylphenyl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 174232921
12-phenyl-16-(3-phenylphenyl)-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 154589180
9,12-diphenyl-16-(3-phenylquinoxalin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[3-(4-phenylphenyl)quinoxalin-2-yl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[4-(3-phenylquinoxalin-2-yl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 163789996
16-[3-(2,3-diphenylquinoxalin-5-yl)phenyl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
CID 154952773
9-(2,3-diphenylquinoxalin-5-yl)-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;9-[3-(2,3-diphenylquinoxalin-5-yl)phenyl]-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;24-phenyl-9-(7-phenylquinoxalin-6-yl)-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 161101492
16-[2,5-dimethyl-4-(12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaen-16-yl)phenyl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 163572455
12-phenyl-22-[4-(4-phenylquinazolin-2-yl)phenyl]-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
CID 138533154

Frequently Asked Questions

What is the IUPAC name of 12-(2,3-diphenylquinoxalin-5-yl)-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene?
The IUPAC name of 12-(2,3-diphenylquinoxalin-5-yl)-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene (CID 154952711) is 12-(2,3-diphenylquinoxalin-5-yl)-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene.
What is the SMILES notation for 12-(2,3-diphenylquinoxalin-5-yl)-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene?
The canonical SMILES for 12-(2,3-diphenylquinoxalin-5-yl)-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene is c1ccc(-c2nc3cccc(-n4c5cc6c(cc5c5c7ccccc7ccc54)c4ccccc4n6-c4ccccc4)c3nc2-c2ccccc2)cc1.
What is the InChIKey of 12-(2,3-diphenylquinoxalin-5-yl)-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene?
The InChIKey is DITJEQPBAGJMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N4/c1-4-16-32(17-5-1)46-47(33-18-6-2-7-19-33)50-48-39(49-46)24-14-26-42(48)52-41-28-27-31-15-10-11-22-35(31)45(41)38-29-37-36-23-12-13-25-40(36)51(43(37)30-44(38)52)34-20-8-3-9-21-34/h1-30H.
What are the key properties of 12-(2,3-diphenylquinoxalin-5-yl)-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene?
12-(2,3-diphenylquinoxalin-5-yl)-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene has a molecular weight of 662.80 g/mol, XLogP of 12.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(2,3-diphenylquinoxalin-5-yl)-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene is sourced from PubChem (CID 154952711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).