3,3,14,14,15,15,22-heptamethyl-22-azapentacyclo[11.9.0.02,10.04,9.016,21]docosa-1(13),2(10),4,6,8,11,16,18,20-nonaene;9,9,14,21,21,22,22-heptamethyl-14-azapentacyclo[11.9.0.02,10.03,8.015,20]docosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;10,10,14,14,15,15,22-heptamethyl-22-azapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1(13),2,4,6,8,11,16,18,20-nonaene;7,7,8,8,13-pentamethylnaphtho[1,2-b][1]benzazepine

C107H118N4 — CID 159681117

IUPAC3,3,14,14,15,15,22-heptamethyl-22-azapentacyclo[11.9.0.02,10.04,9.016,21]docosa-1(13),2(10),4,6,8,11,16,18,20-nonaene;9,9,14,21,21,22,22-heptamethyl-14-azapentacyclo[11.9.0.02,10.03,8.015,20]docosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;10,10,14,14,15,15,22-heptamethyl-22-azapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1(13),2,4,6,8,11,16,18,20-nonaene;7,7,8,8,13-pentamethylnaphtho[1,2-b][1]benzazepine
SMILESCN1c2ccccc2C(C)(C)C(C)(C)c2c1ccc1c2-c2ccccc2C1(C)C.CN1c2ccccc2C(C)(C)C(C)(C)c2cc3c(cc21)-c1ccccc1C3(C)C.CN1c2ccccc2C(C)(C)C(C)(C)c2ccc3c(c21)C(C)(C)c1ccccc1-3.CN1c2ccccc2C(C)(C)C(C)(C)c2ccc3ccccc3c21
InChIInChI=1S/3C28H31N.C23H25N/c1-26(2)20-13-9-8-12-18(20)19-16-25-23(17-22(19)26)28(5,6)27(3,4)21-14-10-11-15-24(21)29(25)7;1-26(2)20-13-9-8-12-18(20)19-16-17-22-25(24(19)26)29(7)23-15-11-10-14-21(23)27(3,4)28(22,5)6;1-26(2)19-13-9-8-12-18(19)24-21(26)16-17-23-25(24)28(5,6)27(3,4)20-14-10-11-15-22(20)29(23)7;1-22(2)18-12-8-9-13-20(18)24(5)21-17-11-7-6-10-16(17)14-15-19(21)23(22,3)4/h3*8-17H,1-7H3;6-15H,1-5H3
InChIKeyMVFHTNRJPXBRPW-UHFFFAOYSA-N
MW1460.15 g/mol
LogP28.17
Rot. Bonds

About 3,3,14,14,15,15,22-heptamethyl-22-azapentacyclo[11.9.0.02,10.04,9.016,21]docosa-1(13),2(10),4,6,8,11,16,18,20-nonaene;9,9,14,21,21,22,22-heptamethyl-14-azapentacyclo[11.9.0.02,10.03,8.015,20]docosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;10,10,14,14,15,15,22-heptamethyl-22-azapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1(13),2,4,6,8,11,16,18,20-nonaene;7,7,8,8,13-pentamethylnaphtho[1,2-b][1]benzazepine

3,3,14,14,15,15,22-heptamethyl-22-azapentacyclo[11.9.0.02,10.04,9.016,21]docosa-1(13),2(10),4,6,8,11,16,18,20-nonaene;9,9,14,21,21,22,22-heptamethyl-14-azapentacyclo[11.9.0.02,10.03,8.015,20]docosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;10,10,14,14,15,15,22-heptamethyl-22-azapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1(13),2,4,6,8,11,16,18,20-nonaene;7,7,8,8,13-pentamethylnaphtho[1,2-b][1]benzazepine (PubChem CID 159681117) has the molecular formula C107H118N4 and a molecular weight of 1460.15 g/mol. Its IUPAC name is 3,3,14,14,15,15,22-heptamethyl-22-azapentacyclo[11.9.0.02,10.04,9.016,21]docosa-1(13),2(10),4,6,8,11,16,18,20-nonaene;9,9,14,21,21,22,22-heptamethyl-14-azapentacyclo[11.9.0.02,10.03,8.015,20]docosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;10,10,14,14,15,15,22-heptamethyl-22-azapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1(13),2,4,6,8,11,16,18,20-nonaene;7,7,8,8,13-pentamethylnaphtho[1,2-b][1]benzazepine.

Molecular Properties

Compound Name3,3,14,14,15,15,22-heptamethyl-22-azapentacyclo[11.9.0.02,10.04,9.016,21]docosa-1(13),2(10),4,6,8,11,16,18,20-nonaene;9,9,14,21,21,22,22-heptamethyl-14-azapentacyclo[11.9.0.02,10.03,8.015,20]docosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;10,10,14,14,15,15,22-heptamethyl-22-azapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1(13),2,4,6,8,11,16,18,20-nonaene;7,7,8,8,13-pentamethylnaphtho[1,2-b][1]benzazepine
PubChem CID159681117
Molecular FormulaC107H118N4
Molecular Weight1460.15 g/mol
Exact Mass1458.94
IUPAC Name3,3,14,14,15,15,22-heptamethyl-22-azapentacyclo[11.9.0.02,10.04,9.016,21]docosa-1(13),2(10),4,6,8,11,16,18,20-nonaene;9,9,14,21,21,22,22-heptamethyl-14-azapentacyclo[11.9.0.02,10.03,8.015,20]docosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;10,10,14,14,15,15,22-heptamethyl-22-azapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1(13),2,4,6,8,11,16,18,20-nonaene;7,7,8,8,13-pentamethylnaphtho[1,2-b][1]benzazepine
SMILESCN1c2ccccc2C(C)(C)C(C)(C)c2c1ccc1c2-c2ccccc2C1(C)C.CN1c2ccccc2C(C)(C)C(C)(C)c2cc3c(cc21)-c1ccccc1C3(C)C.CN1c2ccccc2C(C)(C)C(C)(C)c2ccc3c(c21)C(C)(C)c1ccccc1-3.CN1c2ccccc2C(C)(C)C(C)(C)c2ccc3ccccc3c21
InChIInChI=1S/3C28H31N.C23H25N/c1-26(2)20-13-9-8-12-18(20)19-16-25-23(17-22(19)26)28(5,6)27(3,4)21-14-10-11-15-24(21)29(25)7;1-26(2)20-13-9-8-12-18(20)19-16-17-22-25(24(19)26)29(7)23-15-11-10-14-21(23)27(3,4)28(22,5)6;1-26(2)19-13-9-8-12-18(19)24-21(26)16-17-23-25(24)28(5,6)27(3,4)20-14-10-11-15-22(20)29(23)7;1-22(2)18-12-8-9-13-20(18)24(5)21-17-11-7-6-10-16(17)14-15-19(21)23(22,3)4/h3*8-17H,1-7H3;6-15H,1-5H3
InChIKeyMVFHTNRJPXBRPW-UHFFFAOYSA-N
XLogP28.17
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms111
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001460.15
LogP ≤ 528.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,3,14,14,15,15,22-heptamethyl-22-azapentacyclo[11.9.0.02,10.04,9.016,21]docosa-1(13),2(10),4,6,8,11,16,18,20-nonaene;9,9,14,21,21,22,22-heptamethyl-14-azapentacyclo[11.9.0.02,10.03,8.015,20]docosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;10,10,14,14,15,15,22-heptamethyl-22-azapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1(13),2,4,6,8,11,16,18,20-nonaene;7,7,8,8,13-pentamethylnaphtho[1,2-b][1]benzazepine with MolForge

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Related Compounds

3,3,14,14,15,15,22-heptamethyl-22-azapentacyclo[11.9.0.02,10.04,9.016,21]docosa-1(13),2(10),4,6,8,11,16,18,20-nonaene;9,9,14,21,21,22,22-heptamethyl-14-azapentacyclo[11.9.0.02,10.03,8.015,20]docosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;10,10,14,14,15,15,22-heptamethyl-22-azapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1(13),2,4,6,8,11,16,18,20-nonaene;5,12,12,13,13-pentamethylnaphtho[2,3-b][1]benzazepine;7,7,8,8,13-pentamethylnaphtho[1,2-b][1]benzazepine
CID 160839106
ethane;3,3,14,14,15,15,22-heptamethyl-22-azapentacyclo[11.9.0.02,10.04,9.016,21]docosa-1(13),2(10),4,6,8,11,16,18,20-nonaene;9,9,14,21,21,22,22-heptamethyl-14-azapentacyclo[11.9.0.02,10.03,8.015,20]docosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;10,10,14,14,15,15,22-heptamethyl-22-azapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1(13),2,4,6,8,11,16,18,20-nonaene;15,22,22,23,23-pentamethyl-15-azapentacyclo[12.9.0.02,7.08,13.016,21]tricosa-1(14),2,4,6,8,10,12,16,18,20-decaene
CID 162177310
10,10,14,14,15,15,22-heptamethyl-22-azapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1(13),2,4,6,8,11,16,18,20-nonaene
CID 58184992
1-[10-(9,9-dimethylfluoren-4-yl)-8-(9,9,10-trimethylacridin-1-yl)anthracen-1-yl]-9,9,10-trimethylacridine
CID 155334294
17,17,21,24,24-pentamethyl-21-azaoctacyclo[20.11.0.02,7.08,20.010,18.011,16.023,31.025,30]tritriaconta-1(22),2,4,6,8,10(18),11,13,15,19,23(31),25,27,29,32-pentadecaene
CID 139506414
18-methyl-18-azahexacyclo[17.8.0.02,7.08,17.09,14.022,27]heptacosa-1(19),2,4,6,8(17),9,11,13,15,20,22,24,26-tridecaene;18-methyl-18-azahexacyclo[17.8.0.02,7.08,17.010,15.021,26]heptacosa-1(27),2,4,6,8,10,12,14,16,19,21,23,25-tridecaene;18-methyl-18-azahexacyclo[17.8.0.02,7.08,17.011,16.020,25]heptacosa-1(19),2,4,6,8(17),9,11,13,15,20,22,24,26-tridecaene;9,14,14-trimethylphenanthro[9,10-b]quinoline
CID 158930712
3-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-1-ylanthracen-9-yl]-9,9,10-trimethylacridine
CID 59196517
10-methyl-1-[8-(10-methyl-9,9-diphenylacridin-1-yl)-10-spiro[benzo[c]fluorene-7,9'-fluorene]-4'-ylanthracen-1-yl]-9,9-diphenylacridine;9,9,10-trimethyl-1-[10-spiro[benzo[c]fluorene-7,9'-fluorene]-4'-yl-8-(9,9,10-trimethylacridin-1-yl)anthracen-1-yl]acridine;9,9,10-trimethyl-4-[10-spiro[benzo[c]fluorene-7,9'-fluorene]-11-yl-8-(9,9,10-trimethylacridin-4-yl)anthracen-1-yl]acridine
CID 161240985
11,11-dimethylbenzo[a]fluorene;11,11-dimethylbenzo[b]fluorene;7,7-dimethylbenzo[c]fluorene;9,9-dimethylfluorene;8,8-dimethylindeno[1,2-a]anthracene;13,13-dimethylindeno[2,1-a]anthracene;10,10-dimethylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;ethane
CID 159108274
9-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-7,7-dimethylbenzo[c]fluorene
CID 58151561
16,16,21,25,25-pentamethyl-21-azaoctacyclo[20.11.0.02,7.08,20.09,17.010,15.024,32.026,31]tritriaconta-1(33),2,4,6,8(20),9(17),10,12,14,18,22,24(32),26,28,30-pentadecaene
CID 139506238
2-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-1-ylanthracen-9-yl]-5,10-dimethylphenazine
CID 59195711

Frequently Asked Questions

What is the IUPAC name of 3,3,14,14,15,15,22-heptamethyl-22-azapentacyclo[11.9.0.02,10.04,9.016,21]docosa-1(13),2(10),4,6,8,11,16,18,20-nonaene;9,9,14,21,21,22,22-heptamethyl-14-azapentacyclo[11.9.0.02,10.03,8.015,20]docosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;10,10,14,14,15,15,22-heptamethyl-22-azapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1(13),2,4,6,8,11,16,18,20-nonaene;7,7,8,8,13-pentamethylnaphtho[1,2-b][1]benzazepine?
The IUPAC name of 3,3,14,14,15,15,22-heptamethyl-22-azapentacyclo[11.9.0.02,10.04,9.016,21]docosa-1(13),2(10),4,6,8,11,16,18,20-nonaene;9,9,14,21,21,22,22-heptamethyl-14-azapentacyclo[11.9.0.02,10.03,8.015,20]docosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;10,10,14,14,15,15,22-heptamethyl-22-azapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1(13),2,4,6,8,11,16,18,20-nonaene;7,7,8,8,13-pentamethylnaphtho[1,2-b][1]benzazepine (CID 159681117) is 3,3,14,14,15,15,22-heptamethyl-22-azapentacyclo[11.9.0.02,10.04,9.016,21]docosa-1(13),2(10),4,6,8,11,16,18,20-nonaene;9,9,14,21,21,22,22-heptamethyl-14-azapentacyclo[11.9.0.02,10.03,8.015,20]docosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;10,10,14,14,15,15,22-heptamethyl-22-azapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1(13),2,4,6,8,11,16,18,20-nonaene;7,7,8,8,13-pentamethylnaphtho[1,2-b][1]benzazepine.
What is the SMILES notation for 3,3,14,14,15,15,22-heptamethyl-22-azapentacyclo[11.9.0.02,10.04,9.016,21]docosa-1(13),2(10),4,6,8,11,16,18,20-nonaene;9,9,14,21,21,22,22-heptamethyl-14-azapentacyclo[11.9.0.02,10.03,8.015,20]docosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;10,10,14,14,15,15,22-heptamethyl-22-azapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1(13),2,4,6,8,11,16,18,20-nonaene;7,7,8,8,13-pentamethylnaphtho[1,2-b][1]benzazepine?
The canonical SMILES for 3,3,14,14,15,15,22-heptamethyl-22-azapentacyclo[11.9.0.02,10.04,9.016,21]docosa-1(13),2(10),4,6,8,11,16,18,20-nonaene;9,9,14,21,21,22,22-heptamethyl-14-azapentacyclo[11.9.0.02,10.03,8.015,20]docosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;10,10,14,14,15,15,22-heptamethyl-22-azapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1(13),2,4,6,8,11,16,18,20-nonaene;7,7,8,8,13-pentamethylnaphtho[1,2-b][1]benzazepine is CN1c2ccccc2C(C)(C)C(C)(C)c2c1ccc1c2-c2ccccc2C1(C)C.CN1c2ccccc2C(C)(C)C(C)(C)c2cc3c(cc21)-c1ccccc1C3(C)C.CN1c2ccccc2C(C)(C)C(C)(C)c2ccc3c(c21)C(C)(C)c1ccccc1-3.CN1c2ccccc2C(C)(C)C(C)(C)c2ccc3ccccc3c21.
What is the InChIKey of 3,3,14,14,15,15,22-heptamethyl-22-azapentacyclo[11.9.0.02,10.04,9.016,21]docosa-1(13),2(10),4,6,8,11,16,18,20-nonaene;9,9,14,21,21,22,22-heptamethyl-14-azapentacyclo[11.9.0.02,10.03,8.015,20]docosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;10,10,14,14,15,15,22-heptamethyl-22-azapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1(13),2,4,6,8,11,16,18,20-nonaene;7,7,8,8,13-pentamethylnaphtho[1,2-b][1]benzazepine?
The InChIKey is MVFHTNRJPXBRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/3C28H31N.C23H25N/c1-26(2)20-13-9-8-12-18(20)19-16-25-23(17-22(19)26)28(5,6)27(3,4)21-14-10-11-15-24(21)29(25)7;1-26(2)20-13-9-8-12-18(20)19-16-17-22-25(24(19)26)29(7)23-15-11-10-14-21(23)27(3,4)28(22,5)6;1-26(2)19-13-9-8-12-18(19)24-21(26)16-17-23-25(24)28(5,6)27(3,4)20-14-10-11-15-22(20)29(23)7;1-22(2)18-12-8-9-13-20(18)24(5)21-17-11-7-6-10-16(17)14-15-19(21)23(22,3)4/h3*8-17H,1-7H3;6-15H,1-5H3.
What are the key properties of 3,3,14,14,15,15,22-heptamethyl-22-azapentacyclo[11.9.0.02,10.04,9.016,21]docosa-1(13),2(10),4,6,8,11,16,18,20-nonaene;9,9,14,21,21,22,22-heptamethyl-14-azapentacyclo[11.9.0.02,10.03,8.015,20]docosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;10,10,14,14,15,15,22-heptamethyl-22-azapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1(13),2,4,6,8,11,16,18,20-nonaene;7,7,8,8,13-pentamethylnaphtho[1,2-b][1]benzazepine?
3,3,14,14,15,15,22-heptamethyl-22-azapentacyclo[11.9.0.02,10.04,9.016,21]docosa-1(13),2(10),4,6,8,11,16,18,20-nonaene;9,9,14,21,21,22,22-heptamethyl-14-azapentacyclo[11.9.0.02,10.03,8.015,20]docosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;10,10,14,14,15,15,22-heptamethyl-22-azapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1(13),2,4,6,8,11,16,18,20-nonaene;7,7,8,8,13-pentamethylnaphtho[1,2-b][1]benzazepine has a molecular weight of 1460.15 g/mol, XLogP of 28.17, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,14,14,15,15,22-heptamethyl-22-azapentacyclo[11.9.0.02,10.04,9.016,21]docosa-1(13),2(10),4,6,8,11,16,18,20-nonaene;9,9,14,21,21,22,22-heptamethyl-14-azapentacyclo[11.9.0.02,10.03,8.015,20]docosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;10,10,14,14,15,15,22-heptamethyl-22-azapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1(13),2,4,6,8,11,16,18,20-nonaene;7,7,8,8,13-pentamethylnaphtho[1,2-b][1]benzazepine is sourced from PubChem (CID 159681117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).