12-(3-phenylphenyl)-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(22),20,23-decaene

C48H32N4 — CID 139363596

IUPAC12-(3-phenylphenyl)-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(22),20,23-decaene
SMILESC1=Cc2c(n(-c3nc4ccccc4nc3-c3ccccc3)c3cc4c(cc23)c2c3ccccc3ccc2n4-c2cccc(-c3ccccc3)c2)CC1
InChIInChI=1S/C48H32N4/c1-3-14-31(15-4-1)34-19-13-20-35(28-34)51-43-27-26-32-16-7-8-21-36(32)46(43)39-29-38-37-22-9-12-25-42(37)52(44(38)30-45(39)51)48-47(33-17-5-2-6-18-33)49-40-23-10-11-24-41(40)50-48/h1-11,13-24,26-30H,12,25H2
InChIKeyZPLZEMUPNUTXGY-UHFFFAOYSA-N
MW664.81 g/mol
LogP12.12
Rot. Bonds4

About 12-(3-phenylphenyl)-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(22),20,23-decaene

12-(3-phenylphenyl)-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(22),20,23-decaene (PubChem CID 139363596) has the molecular formula C48H32N4 and a molecular weight of 664.81 g/mol. Its IUPAC name is 12-(3-phenylphenyl)-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(22),20,23-decaene.

Molecular Properties

Compound Name12-(3-phenylphenyl)-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(22),20,23-decaene
PubChem CID139363596
Molecular FormulaC48H32N4
Molecular Weight664.81 g/mol
Exact Mass664.26
IUPAC Name12-(3-phenylphenyl)-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(22),20,23-decaene
SMILESC1=Cc2c(n(-c3nc4ccccc4nc3-c3ccccc3)c3cc4c(cc23)c2c3ccccc3ccc2n4-c2cccc(-c3ccccc3)c2)CC1
InChIInChI=1S/C48H32N4/c1-3-14-31(15-4-1)34-19-13-20-35(28-34)51-43-27-26-32-16-7-8-21-36(32)46(43)39-29-38-37-22-9-12-25-42(37)52(44(38)30-45(39)51)48-47(33-17-5-2-6-18-33)49-40-23-10-11-24-41(40)50-48/h1-11,13-24,26-30H,12,25H2
InChIKeyZPLZEMUPNUTXGY-UHFFFAOYSA-N
XLogP12.12
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.81
LogP ≤ 512.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 12-(3-phenylphenyl)-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(22),20,23-decaene with MolForge

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Related Compounds

6-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,8-dihydrocarbazol-2-yl]-11-(3-phenylphenyl)-6,11-diazapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),4,8,13,15,17,19-nonaene
CID 129303383
12-(4-phenylphenyl)-16-(4-phenylquinazolin-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-(4-phenylphenyl)-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-(3-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-phenylquinazolin-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
CID 160926050
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
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
6-[10-[6-(9-phenyl-7,8-dihydrocarbazol-3-yl)-1,2-dihydrocarbazol-9-yl]benzo[c]carbazol-7-yl]benzene-1,2,3,4,5-pentol
CID 144568695
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
2-benzo[c]carbazol-7-yl-5-[3-(4-phenylphenyl)quinoxalin-2-yl]benzo[b]carbazole
CID 146375178
7-phenyl-10-[7-(3-phenylphenyl)benzo[c]carbazol-10-yl]benzo[c]carbazole
CID 129290171
15,22-diphenyl-19-(3,5,6-triphenylpyrazin-2-yl)-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20(25),21,23,26-dodecaene;2-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3,5,6-triphenylpyrazin-2-yl)carbazole;7-phenyl-10-[7-phenyl-9-(3-phenylquinoxalin-2-yl)carbazol-3-yl]benzo[c]carbazole
CID 161458434
9-phenyl-2-[9-(4-phenylquinazolin-2-yl)-7,8-dihydrocarbazol-3-yl]carbazole
CID 163569923
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-[3-(4-phenylphenyl)quinoxalin-2-yl]benzo[c]carbazole
CID 163967651

Frequently Asked Questions

What is the IUPAC name of 12-(3-phenylphenyl)-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(22),20,23-decaene?
The IUPAC name of 12-(3-phenylphenyl)-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(22),20,23-decaene (CID 139363596) is 12-(3-phenylphenyl)-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(22),20,23-decaene.
What is the SMILES notation for 12-(3-phenylphenyl)-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(22),20,23-decaene?
The canonical SMILES for 12-(3-phenylphenyl)-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(22),20,23-decaene is C1=Cc2c(n(-c3nc4ccccc4nc3-c3ccccc3)c3cc4c(cc23)c2c3ccccc3ccc2n4-c2cccc(-c3ccccc3)c2)CC1.
What is the InChIKey of 12-(3-phenylphenyl)-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(22),20,23-decaene?
The InChIKey is ZPLZEMUPNUTXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N4/c1-3-14-31(15-4-1)34-19-13-20-35(28-34)51-43-27-26-32-16-7-8-21-36(32)46(43)39-29-38-37-22-9-12-25-42(37)52(44(38)30-45(39)51)48-47(33-17-5-2-6-18-33)49-40-23-10-11-24-41(40)50-48/h1-11,13-24,26-30H,12,25H2.
What are the key properties of 12-(3-phenylphenyl)-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(22),20,23-decaene?
12-(3-phenylphenyl)-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(22),20,23-decaene has a molecular weight of 664.81 g/mol, XLogP of 12.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(3-phenylphenyl)-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(22),20,23-decaene is sourced from PubChem (CID 139363596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).