17,17-dimethyl-4,12-di(propan-2-yl)-8-azaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2(7),3,5,9(14),10,12,15(26),16(24),18,20,22-dodecaene

C33H31N — CID 176726676

IUPAC17,17-dimethyl-4,12-di(propan-2-yl)-8-azaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2(7),3,5,9(14),10,12,15(26),16(24),18,20,22-dodecaene
SMILESCC(C)c1ccc2c(c1)c1cc3c(c4c5cc(C(C)C)ccc5n2c14)C(C)(C)c1ccccc1-3
InChIInChI=1S/C33H31N/c1-18(2)20-11-13-28-23(15-20)25-17-24-22-9-7-8-10-27(22)33(5,6)31(24)30-26-16-21(19(3)4)12-14-29(26)34(28)32(25)30/h7-19H,1-6H3
InChIKeyYZDAPAOVMMDEGZ-UHFFFAOYSA-N
MW441.62 g/mol
LogP9.39
Rot. Bonds2

About 17,17-dimethyl-4,12-di(propan-2-yl)-8-azaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2(7),3,5,9(14),10,12,15(26),16(24),18,20,22-dodecaene

17,17-dimethyl-4,12-di(propan-2-yl)-8-azaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2(7),3,5,9(14),10,12,15(26),16(24),18,20,22-dodecaene (PubChem CID 176726676) has the molecular formula C33H31N and a molecular weight of 441.62 g/mol. Its IUPAC name is 17,17-dimethyl-4,12-di(propan-2-yl)-8-azaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2(7),3,5,9(14),10,12,15(26),16(24),18,20,22-dodecaene.

Molecular Properties

Compound Name17,17-dimethyl-4,12-di(propan-2-yl)-8-azaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2(7),3,5,9(14),10,12,15(26),16(24),18,20,22-dodecaene
PubChem CID176726676
Molecular FormulaC33H31N
Molecular Weight441.62 g/mol
Exact Mass441.25
IUPAC Name17,17-dimethyl-4,12-di(propan-2-yl)-8-azaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2(7),3,5,9(14),10,12,15(26),16(24),18,20,22-dodecaene
SMILESCC(C)c1ccc2c(c1)c1cc3c(c4c5cc(C(C)C)ccc5n2c14)C(C)(C)c1ccccc1-3
InChIInChI=1S/C33H31N/c1-18(2)20-11-13-28-23(15-20)25-17-24-22-9-7-8-10-27(22)33(5,6)31(24)30-26-16-21(19(3)4)12-14-29(26)34(28)32(25)30/h7-19H,1-6H3
InChIKeyYZDAPAOVMMDEGZ-UHFFFAOYSA-N
XLogP9.39
TPSA4.41 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.62
LogP ≤ 59.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 17,17-dimethyl-4,12-di(propan-2-yl)-8-azaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2(7),3,5,9(14),10,12,15(26),16(24),18,20,22-dodecaene with MolForge

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Related Compounds

17,17-dimethyl-8-azaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2(7),3,5,9(14),10,12,15(26),16(24),18,20,22-dodecaene-5,11-dicarbonitrile
CID 164528712
11,11,33-trimethyl-21,33-diazanonacyclo[19.10.1.113,16.02,14.04,12.05,10.015,20.022,27.028,32]tritriaconta-1(31),2,4(12),5,7,9,13,15,17,19,22,24,26,28(32),29-pentadecaene
CID 157173756
5,20-di(propan-2-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene
CID 154591260
4-(9,9-dimethylfluoren-2-yl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(22),2(7),3,5,9,11,13,15(23),16,18,20-undecaene;4-(3,5-diphenylphenyl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(22),2(7),3,5,9,11,13,15(23),16,18,20-undecaene;4-(3-phenylphenyl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(22),2(7),3,5,9,11,13,15(23),16,18,20-undecaene;4-(4-propan-2-ylphenyl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(22),2(7),3,5,9,11,13,15(23),16,18,20-undecaene
CID 158495806
26,26-dimethyl-1-azaheptadecacyclo[33.22.1.02,23.04,21.06,20.07,12.013,20.014,19.024,58.025,33.027,32.036,57.038,55.039,46.039,53.040,45.047,52]octapentaconta-2,4(21),7,9,11,14,16,18,22,24(58),25(33),27,29,31,34,36,38(55),40,42,44,47,49,51,56-tetracosaene-5,54-dione
CID 167125452
30,30-dimethyl-9-oxa-19-azanonacyclo[17.13.1.02,10.03,8.012,33.013,18.020,32.023,31.024,29]tritriaconta-1(33),2(10),3,5,7,11,13,15,17,20(32),21,23(31),24,26,28-pentadecaene
CID 146376197
26,26-dimethyl-1-azaoctacyclo[14.13.1.02,7.08,30.010,15.017,29.019,27.020,25]triaconta-2,4,6,8,10,12,14,16(30),17,19(27),20,22,24,28-tetradecaene
CID 146376501
17,17-dimethyl-5,8,11-triazaheptacyclo[13.11.1.02,7.08,27.09,14.016,25.018,23]heptacosa-1(26),2(7),3,5,9(14),10,12,15(27),16(25),18,20,22-dodecaen-24-one
CID 164527812
20,20-dimethyl-4-azahexacyclo[11.7.0.02,4.03,11.05,10.014,19]icosa-1(13),2,5,7,9,11,14,16,18-nonaene
CID 90278208
10,18-bis(11,11-dimethylbenzo[b]fluoren-10-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene
CID 146376340
11,11-dimethyl-10-propan-2-ylbenzo[b]fluorene
CID 157467920
5-(3-carbazol-9-ylphenyl)-12,12-dimethylindeno[1,2-c]carbazole
CID 118502372

Frequently Asked Questions

What is the IUPAC name of 17,17-dimethyl-4,12-di(propan-2-yl)-8-azaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2(7),3,5,9(14),10,12,15(26),16(24),18,20,22-dodecaene?
The IUPAC name of 17,17-dimethyl-4,12-di(propan-2-yl)-8-azaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2(7),3,5,9(14),10,12,15(26),16(24),18,20,22-dodecaene (CID 176726676) is 17,17-dimethyl-4,12-di(propan-2-yl)-8-azaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2(7),3,5,9(14),10,12,15(26),16(24),18,20,22-dodecaene.
What is the SMILES notation for 17,17-dimethyl-4,12-di(propan-2-yl)-8-azaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2(7),3,5,9(14),10,12,15(26),16(24),18,20,22-dodecaene?
The canonical SMILES for 17,17-dimethyl-4,12-di(propan-2-yl)-8-azaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2(7),3,5,9(14),10,12,15(26),16(24),18,20,22-dodecaene is CC(C)c1ccc2c(c1)c1cc3c(c4c5cc(C(C)C)ccc5n2c14)C(C)(C)c1ccccc1-3.
What is the InChIKey of 17,17-dimethyl-4,12-di(propan-2-yl)-8-azaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2(7),3,5,9(14),10,12,15(26),16(24),18,20,22-dodecaene?
The InChIKey is YZDAPAOVMMDEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31N/c1-18(2)20-11-13-28-23(15-20)25-17-24-22-9-7-8-10-27(22)33(5,6)31(24)30-26-16-21(19(3)4)12-14-29(26)34(28)32(25)30/h7-19H,1-6H3.
What are the key properties of 17,17-dimethyl-4,12-di(propan-2-yl)-8-azaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2(7),3,5,9(14),10,12,15(26),16(24),18,20,22-dodecaene?
17,17-dimethyl-4,12-di(propan-2-yl)-8-azaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2(7),3,5,9(14),10,12,15(26),16(24),18,20,22-dodecaene has a molecular weight of 441.62 g/mol, XLogP of 9.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 17,17-dimethyl-4,12-di(propan-2-yl)-8-azaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2(7),3,5,9(14),10,12,15(26),16(24),18,20,22-dodecaene is sourced from PubChem (CID 176726676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).