12,12-dimethyl-22-quinazolin-2-yl-22-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene

C33H23N3 — CID 122464313

IUPAC12,12-dimethyl-22-quinazolin-2-yl-22-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
SMILESCC1(C)c2cc3c4ccccc4n(-c4ncc5ccccc5n4)c3cc2-c2ccc3ccccc3c21
InChIInChI=1S/C33H23N3/c1-33(2)27-17-26-23-12-6-8-14-29(23)36(32-34-19-21-10-4-7-13-28(21)35-32)30(26)18-25(27)24-16-15-20-9-3-5-11-22(20)31(24)33/h3-19H,1-2H3
InChIKeyAQMKBKZGLXSCFQ-UHFFFAOYSA-N
MW461.57 g/mol
LogP8.19
Rot. Bonds1

About 12,12-dimethyl-22-quinazolin-2-yl-22-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene

12,12-dimethyl-22-quinazolin-2-yl-22-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene (PubChem CID 122464313) has the molecular formula C33H23N3 and a molecular weight of 461.57 g/mol. Its IUPAC name is 12,12-dimethyl-22-quinazolin-2-yl-22-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene.

Molecular Properties

Compound Name12,12-dimethyl-22-quinazolin-2-yl-22-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
PubChem CID122464313
Molecular FormulaC33H23N3
Molecular Weight461.57 g/mol
Exact Mass461.19
IUPAC Name12,12-dimethyl-22-quinazolin-2-yl-22-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
SMILESCC1(C)c2cc3c4ccccc4n(-c4ncc5ccccc5n4)c3cc2-c2ccc3ccccc3c21
InChIInChI=1S/C33H23N3/c1-33(2)27-17-26-23-12-6-8-14-29(23)36(32-34-19-21-10-4-7-13-28(21)35-32)30(26)18-25(27)24-16-15-20-9-3-5-11-22(20)31(24)33/h3-19H,1-2H3
InChIKeyAQMKBKZGLXSCFQ-UHFFFAOYSA-N
XLogP8.19
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.57
LogP ≤ 58.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 12,12-dimethyl-22-quinazolin-2-yl-22-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene with MolForge

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Related Compounds

12,12-dimethyl-16-(1,3,5-triazin-2-yl)-16-azahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 122464208
2-(12,12-dimethyl-22-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-22-yl)-1,3-benzothiazole
CID 122464537
22,22-dimethyl-3-quinazolin-2-yl-3-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene
CID 122464290
7-naphthalen-1-yl-5-quinazolin-2-ylindolo[2,3-b]carbazole
CID 138623613
10-phenyl-22-quinazolin-2-yl-10,22-diazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,11,13,15(23),16,18,20-undecaene
CID 122465132
2-(12,12-dimethyl-16-azahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaen-16-yl)-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine
CID 166003606
17,17-dimethyl-9-quinazolin-2-yl-9-azahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene
CID 122464270
12,12-dimethyl-22-(4-phenylquinazolin-2-yl)-22-azahexacyclo[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 122464936
2-(12,12-dimethyl-16-azahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaen-16-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 146271012
12,12-dimethyl-16-(19-phenyl-14,16,18,21-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaen-17-yl)-16-azahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 170542624
1-phenyl-9-quinazolin-2-ylpyrrolo[2,3-b]carbazole
CID 90062529
2-carbazol-9-yl-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole;2-carbazol-9-yl-7-quinazolin-2-ylbenzo[c]carbazole;7-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-3-(9-phenylcarbazol-2-yl)benzo[c]carbazole
CID 158731806

Frequently Asked Questions

What is the IUPAC name of 12,12-dimethyl-22-quinazolin-2-yl-22-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene?
The IUPAC name of 12,12-dimethyl-22-quinazolin-2-yl-22-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene (CID 122464313) is 12,12-dimethyl-22-quinazolin-2-yl-22-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene.
What is the SMILES notation for 12,12-dimethyl-22-quinazolin-2-yl-22-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene?
The canonical SMILES for 12,12-dimethyl-22-quinazolin-2-yl-22-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene is CC1(C)c2cc3c4ccccc4n(-c4ncc5ccccc5n4)c3cc2-c2ccc3ccccc3c21.
What is the InChIKey of 12,12-dimethyl-22-quinazolin-2-yl-22-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene?
The InChIKey is AQMKBKZGLXSCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23N3/c1-33(2)27-17-26-23-12-6-8-14-29(23)36(32-34-19-21-10-4-7-13-28(21)35-32)30(26)18-25(27)24-16-15-20-9-3-5-11-22(20)31(24)33/h3-19H,1-2H3.
What are the key properties of 12,12-dimethyl-22-quinazolin-2-yl-22-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene?
12,12-dimethyl-22-quinazolin-2-yl-22-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene has a molecular weight of 461.57 g/mol, XLogP of 8.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12-dimethyl-22-quinazolin-2-yl-22-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene is sourced from PubChem (CID 122464313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).