12,12-dimethyl-15-pyridin-2-yl-15-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene

C30H22N2 — CID 122464128

IUPAC12,12-dimethyl-15-pyridin-2-yl-15-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
SMILESCC1(C)c2ccc3ccccc3c2-c2ccc3c4ccccc4n(-c4ccccn4)c3c21
InChIInChI=1S/C30H22N2/c1-30(2)24-17-14-19-9-3-4-10-20(19)27(24)23-16-15-22-21-11-5-6-12-25(21)32(29(22)28(23)30)26-13-7-8-18-31-26/h3-18H,1-2H3
InChIKeyCPTPBYWOZBFRLQ-UHFFFAOYSA-N
MW410.52 g/mol
LogP7.64
Rot. Bonds1

About 12,12-dimethyl-15-pyridin-2-yl-15-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene

12,12-dimethyl-15-pyridin-2-yl-15-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene (PubChem CID 122464128) has the molecular formula C30H22N2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 12,12-dimethyl-15-pyridin-2-yl-15-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene.

Molecular Properties

Compound Name12,12-dimethyl-15-pyridin-2-yl-15-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
PubChem CID122464128
Molecular FormulaC30H22N2
Molecular Weight410.52 g/mol
Exact Mass410.18
IUPAC Name12,12-dimethyl-15-pyridin-2-yl-15-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
SMILESCC1(C)c2ccc3ccccc3c2-c2ccc3c4ccccc4n(-c4ccccn4)c3c21
InChIInChI=1S/C30H22N2/c1-30(2)24-17-14-19-9-3-4-10-20(19)27(24)23-16-15-22-21-11-5-6-12-25(21)32(29(22)28(23)30)26-13-7-8-18-31-26/h3-18H,1-2H3
InChIKeyCPTPBYWOZBFRLQ-UHFFFAOYSA-N
XLogP7.64
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.52
LogP ≤ 57.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 12,12-dimethyl-15-pyridin-2-yl-15-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene with MolForge

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Related Compounds

23,23-dimethyl-3-pyridin-2-yl-3-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene
CID 118545787
12,12-dimethyl-15-(1-phenylbenzimidazol-2-yl)-15-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
CID 122464575
2-(12,12-dimethyl-15-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaen-15-yl)-1,3-benzoxazole
CID 122464499
15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-dimethyl-7,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene
CID 122524092
12,12-dimethyl-11-pyrimidin-2-ylindeno[2,1-a]carbazole
CID 118502203
25,25-dimethylhexacyclo[12.11.0.02,11.05,10.015,24.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(24),16,18,20,22-dodecaene;ethane
CID 90810570
12,12-dimethyl-23-(1,3,5-triazin-2-yl)-23-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene
CID 122464207
16-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12,13,13-tetramethyl-16-azahexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3,5,7,9,15(23),17,19,21,24-undecaene
CID 163452696
15,15-dimethyl-12-naphthalen-1-yl-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;22,22-dimethyl-12-naphthalen-1-yl-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene;24,24-dimethyl-9-naphthalen-1-yl-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;24,24-dimethyl-3-pyridin-2-yl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 160515335
25,25-dimethylhexacyclo[12.11.0.02,11.05,10.015,24.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(24),16,18,20,22-dodecaene;ethane;propane
CID 90957624
9-[6-carbazol-9-yl-2-[4-(13,13-dimethyl-21-heptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18(23),19,21,24,26,28-tetradecaenyl)phenyl]pyrimidin-4-yl]carbazole
CID 121444164
24-phenyl-3-pyridin-2-yl-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene
CID 122465004

Frequently Asked Questions

What is the IUPAC name of 12,12-dimethyl-15-pyridin-2-yl-15-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene?
The IUPAC name of 12,12-dimethyl-15-pyridin-2-yl-15-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene (CID 122464128) is 12,12-dimethyl-15-pyridin-2-yl-15-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene.
What is the SMILES notation for 12,12-dimethyl-15-pyridin-2-yl-15-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene?
The canonical SMILES for 12,12-dimethyl-15-pyridin-2-yl-15-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene is CC1(C)c2ccc3ccccc3c2-c2ccc3c4ccccc4n(-c4ccccn4)c3c21.
What is the InChIKey of 12,12-dimethyl-15-pyridin-2-yl-15-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene?
The InChIKey is CPTPBYWOZBFRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N2/c1-30(2)24-17-14-19-9-3-4-10-20(19)27(24)23-16-15-22-21-11-5-6-12-25(21)32(29(22)28(23)30)26-13-7-8-18-31-26/h3-18H,1-2H3.
What are the key properties of 12,12-dimethyl-15-pyridin-2-yl-15-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene?
12,12-dimethyl-15-pyridin-2-yl-15-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene has a molecular weight of 410.52 g/mol, XLogP of 7.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12-dimethyl-15-pyridin-2-yl-15-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene is sourced from PubChem (CID 122464128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).