ethane;9-methyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-methylcarbazole;11-methyl-12H-indeno[2,1-a]carbazole;5-methyl-7H-indeno[2,1-b]carbazole;5-methyl-11H-indeno[1,2-b]carbazole;5-methyl-12H-indeno[1,2-c]carbazole

C147H188N6 — CID 158023660

IUPACethane;9-methyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-methylcarbazole;11-methyl-12H-indeno[2,1-a]carbazole;5-methyl-7H-indeno[2,1-b]carbazole;5-methyl-11H-indeno[1,2-b]carbazole;5-methyl-12H-indeno[1,2-c]carbazole
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cn1c2ccccc2c2c3c(ccc21)-c1ccccc1C3.Cn1c2ccccc2c2c3c(ccc21)Cc1ccccc1-3.Cn1c2ccccc2c2cc3c(cc21)-c1ccccc1C3.Cn1c2ccccc2c2cc3c(cc21)Cc1ccccc1-3.Cn1c2ccccc2c2ccc3c(c21)Cc1ccccc1-3.Cn1c2ccccc2c2ccccc21
InChIInChI=1S/5C20H15N.C13H11N.17C2H6/c1-21-19-9-5-4-8-16(19)18-12-17-14(11-20(18)21)10-13-6-2-3-7-15(13)17;1-21-19-9-5-4-8-16(19)18-11-14-10-13-6-2-3-7-15(13)17(14)12-20(18)21;1-21-17-9-5-4-8-16(17)20-18(21)11-10-14-12-13-6-2-3-7-15(13)19(14)20;1-21-18-9-5-4-8-16(18)20-17-12-13-6-2-3-7-14(13)15(17)10-11-19(20)21;1-21-19-9-5-4-8-16(19)17-11-10-15-14-7-3-2-6-13(14)12-18(15)20(17)21;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;17*1-2/h2*2-9,11-12H,10H2,1H3;3*2-11H,12H2,1H3;2-9H,1H3;17*1-2H3
InChIKeyFGIXDZCUPFKXFL-UHFFFAOYSA-N
MW2039.16 g/mol
LogP45.29
Rot. Bonds

About ethane;9-methyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-methylcarbazole;11-methyl-12H-indeno[2,1-a]carbazole;5-methyl-7H-indeno[2,1-b]carbazole;5-methyl-11H-indeno[1,2-b]carbazole;5-methyl-12H-indeno[1,2-c]carbazole

ethane;9-methyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-methylcarbazole;11-methyl-12H-indeno[2,1-a]carbazole;5-methyl-7H-indeno[2,1-b]carbazole;5-methyl-11H-indeno[1,2-b]carbazole;5-methyl-12H-indeno[1,2-c]carbazole (PubChem CID 158023660) has the molecular formula C147H188N6 and a molecular weight of 2039.16 g/mol. Its IUPAC name is ethane;9-methyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-methylcarbazole;11-methyl-12H-indeno[2,1-a]carbazole;5-methyl-7H-indeno[2,1-b]carbazole;5-methyl-11H-indeno[1,2-b]carbazole;5-methyl-12H-indeno[1,2-c]carbazole.

Molecular Properties

Compound Nameethane;9-methyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-methylcarbazole;11-methyl-12H-indeno[2,1-a]carbazole;5-methyl-7H-indeno[2,1-b]carbazole;5-methyl-11H-indeno[1,2-b]carbazole;5-methyl-12H-indeno[1,2-c]carbazole
PubChem CID158023660
Molecular FormulaC147H188N6
Molecular Weight2039.16 g/mol
Exact Mass2037.49
IUPAC Nameethane;9-methyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-methylcarbazole;11-methyl-12H-indeno[2,1-a]carbazole;5-methyl-7H-indeno[2,1-b]carbazole;5-methyl-11H-indeno[1,2-b]carbazole;5-methyl-12H-indeno[1,2-c]carbazole
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cn1c2ccccc2c2c3c(ccc21)-c1ccccc1C3.Cn1c2ccccc2c2c3c(ccc21)Cc1ccccc1-3.Cn1c2ccccc2c2cc3c(cc21)-c1ccccc1C3.Cn1c2ccccc2c2cc3c(cc21)Cc1ccccc1-3.Cn1c2ccccc2c2ccc3c(c21)Cc1ccccc1-3.Cn1c2ccccc2c2ccccc21
InChIInChI=1S/5C20H15N.C13H11N.17C2H6/c1-21-19-9-5-4-8-16(19)18-12-17-14(11-20(18)21)10-13-6-2-3-7-15(13)17;1-21-19-9-5-4-8-16(19)18-11-14-10-13-6-2-3-7-15(13)17(14)12-20(18)21;1-21-17-9-5-4-8-16(17)20-18(21)11-10-14-12-13-6-2-3-7-15(13)19(14)20;1-21-18-9-5-4-8-16(18)20-17-12-13-6-2-3-7-14(13)15(17)10-11-19(20)21;1-21-19-9-5-4-8-16(19)17-11-10-15-14-7-3-2-6-13(14)12-18(15)20(17)21;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;17*1-2/h2*2-9,11-12H,10H2,1H3;3*2-11H,12H2,1H3;2-9H,1H3;17*1-2H3
InChIKeyFGIXDZCUPFKXFL-UHFFFAOYSA-N
XLogP45.29
TPSA29.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms153
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002039.16
LogP ≤ 545.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethane;9-methyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-methylcarbazole;11-methyl-12H-indeno[2,1-a]carbazole;5-methyl-7H-indeno[2,1-b]carbazole;5-methyl-11H-indeno[1,2-b]carbazole;5-methyl-12H-indeno[1,2-c]carbazole with MolForge

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Related Compounds

2-azahexacyclo[11.11.0.02,6.07,12.015,23.016,21]tetracosa-1(13),3,5,7,9,11,14,16,18,20,23-undecaene;24-azahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene;24-azahexacyclo[11.11.0.02,10.04,9.014,19.020,24]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene;19-azaoctacyclo[18.11.0.02,14.04,12.05,10.015,19.021,29.023,28]hentriaconta-1(20),2(14),3,5,7,9,12,15,17,21(29),23,25,27,30-tetradecaene;19-azaoctacyclo[18.11.0.02,14.05,13.06,11.015,19.021,29.022,27]hentriaconta-1(20),2(14),3,5(13),6,8,10,15,17,21(29),22,24,26,30-tetradecaene;ethane;methane
CID 158281471
1-azaheptacyclo[13.10.1.02,14.03,11.04,9.019,26.020,25]hexacosa-2(14),3(11),4,6,8,12,15,17,19(26),20,22,24-dodecaene;1-azaheptacyclo[13.10.1.02,14.03,11.05,10.019,26.020,25]hexacosa-2(14),3(11),5,7,9,12,15,17,19(26),20,22,24-dodecaene;1-azaheptacyclo[13.10.1.02,14.04,12.05,10.019,26.020,25]hexacosa-2(14),3,5,7,9,12,15,17,19(26),20,22,24-dodecaene;15-azaheptacyclo[13.10.1.02,14.04,12.05,10.016,21.022,26]hexacosa-1(25),2(14),3,5,7,9,12,16,18,20,22(26),23-dodecaene
CID 158806494
5-methyl-11H-indeno[1,2-b]carbazole
CID 71127484
2-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.014,19.026,34.027,32]pentatriaconta-1(24),3,5,7,9,11(23),12(20),14,16,18,21,25,27,29,31,34-hexadecaene;2-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.014,19.026,34.028,33]pentatriaconta-1(24),3,5,7,9,11(23),12(20),14,16,18,21,25,28,30,32,34-hexadecaene;2-azanonacyclo[22.11.0.02,10.03,8.011,23.013,21.015,20.026,34.028,33]pentatriaconta-1(24),3,5,7,9,11(23),12,15,17,19,21,25,28,30,32,34-hexadecaene;23-azanonacyclo[22.11.0.02,14.03,11.04,9.015,23.017,22.026,34.028,33]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25,28,30,32,34-hexadecaene;ethane
CID 160913317
1-azanonacyclo[17.14.1.02,14.04,12.05,10.015,34.021,33.024,32.025,30]tetratriaconta-2(14),3,5,7,9,12,15,17,19(34),21(33),22,24(32),25,27,29-pentadecaene;1-azanonacyclo[17.14.1.02,14.04,12.06,11.015,34.021,33.024,32.025,30]tetratriaconta-2(14),3,6,8,10,12,15,17,19(34),21(33),22,24(32),25,27,29-pentadecaene;1-azanonacyclo[17.14.1.02,14.05,13.06,11.015,34.021,33.024,32.026,31]tetratriaconta-2(14),3,5(13),6,8,10,15,17,19(34),21(33),22,24(32),26,28,30-pentadecaene;ethane
CID 167644230
15-azaoctacyclo[18.11.0.02,14.04,12.05,10.015,19.022,30.023,28]hentriaconta-1(20),2(14),3,5,7,9,12,16,18,21,23,25,27,30-tetradecaene;15-azaoctacyclo[18.11.0.02,14.04,12.06,11.015,19.021,29.022,27]hentriaconta-1(20),2(14),3,6,8,10,12,16,18,21(29),22,24,26,30-tetradecaene;19-azaoctacyclo[18.11.0.02,14.03,11.05,10.015,19.021,29.022,27]hentriaconta-1(20),2(14),3(11),5,7,9,12,15,17,21(29),22,24,26,30-tetradecaene;19-azaoctacyclo[18.11.0.02,14.03,11.05,10.015,19.022,30.024,29]hentriaconta-1(20),2(14),3(11),5,7,9,12,15,17,21,24,26,28,30-tetradecaene;ethane;methane
CID 157310207
10-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.026,34.027,32]pentatriaconta-1(24),2,4,6,8,11(23),12(20),13,15,17,21,25,27,29,31,34-hexadecaene;10-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.014,19.026,34.028,33]pentatriaconta-1(24),2,4,6,8,11(23),12(20),14,16,18,21,25,28,30,32,34-hexadecaene;10-azanonacyclo[22.11.0.02,10.03,8.011,23.013,21.015,20.026,34.028,33]pentatriaconta-1(24),2,4,6,8,11(23),12,15,17,19,21,25,28,30,32,34-hexadecaene;15-azanonacyclo[22.11.0.02,14.03,11.04,9.015,23.017,22.026,34.028,33]pentatriaconta-1(24),2(14),3(11),4,6,8,12,16,18,20,22,25,28,30,32,34-hexadecaene;ethane
CID 158448521
8-methyl-7,12-dihydroindeno[1,2-a]fluorene;9-methyl-7,12-dihydroindeno[1,2-a]fluorene;10-methyl-7,12-dihydroindeno[1,2-a]fluorene;4-methyl-6,12-dihydroindeno[1,2-b]fluorene;5-methyl-12H-indeno[1,2-c]carbazole
CID 161385300
1,3-dimethylnaphthalene;ethane;bis(9H-fluorene);9-methyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;tris(9-methylcarbazole);2-methyl-9H-fluorene;4-methyl-9H-fluorene
CID 165012319
9-methyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;6-methyl-10,12-dihydroindeno[2,1-b]fluorene;4-methylpentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-methylpentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;6-methylpentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;7-methylpentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 160764659
1-azanonacyclo[17.14.1.02,14.03,11.04,9.015,34.021,33.022,30.024,29]tetratriaconta-2(14),3(11),4,6,8,12,15,17,19(34),21(33),22(30),24,26,28,31-pentadecaene;1-azanonacyclo[17.14.1.02,14.03,11.05,10.015,34.021,33.022,30.024,29]tetratriaconta-2(14),3(11),5,7,9,12,15,17,19(34),21(33),22(30),24,26,28,31-pentadecaene;1-azanonacyclo[17.14.1.02,14.04,12.06,11.015,34.021,33.022,30.024,29]tetratriaconta-2(14),3,6,8,10,12,15,17,19(34),21(33),22(30),24,26,28,31-pentadecaene;ethane
CID 167536080
1-azanonacyclo[17.14.1.02,14.03,11.04,9.015,34.021,33.023,31.024,29]tetratriaconta-2(14),3(11),4,6,8,12,15,17,19(34),21,23(31),24,26,28,32-pentadecaene;1-azanonacyclo[17.14.1.02,14.04,12.05,10.015,34.021,33.023,31.024,29]tetratriaconta-2(14),3,5,7,9,12,15,17,19(34),21,23(31),24,26,28,32-pentadecaene;1-azanonacyclo[17.14.1.02,14.04,12.06,11.015,34.021,33.023,31.024,29]tetratriaconta-2(14),3,6,8,10,12,15,17,19(34),21,23(31),24,26,28,32-pentadecaene;1-azanonacyclo[17.14.1.02,14.05,13.07,12.015,34.021,33.023,31.024,29]tetratriaconta-2(14),3,5(13),7,9,11,15,17,19(34),21,23(31),24,26,28,32-pentadecaene;ethane;methane
CID 167594133

Frequently Asked Questions

What is the IUPAC name of ethane;9-methyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-methylcarbazole;11-methyl-12H-indeno[2,1-a]carbazole;5-methyl-7H-indeno[2,1-b]carbazole;5-methyl-11H-indeno[1,2-b]carbazole;5-methyl-12H-indeno[1,2-c]carbazole?
The IUPAC name of ethane;9-methyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-methylcarbazole;11-methyl-12H-indeno[2,1-a]carbazole;5-methyl-7H-indeno[2,1-b]carbazole;5-methyl-11H-indeno[1,2-b]carbazole;5-methyl-12H-indeno[1,2-c]carbazole (CID 158023660) is ethane;9-methyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-methylcarbazole;11-methyl-12H-indeno[2,1-a]carbazole;5-methyl-7H-indeno[2,1-b]carbazole;5-methyl-11H-indeno[1,2-b]carbazole;5-methyl-12H-indeno[1,2-c]carbazole.
What is the SMILES notation for ethane;9-methyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-methylcarbazole;11-methyl-12H-indeno[2,1-a]carbazole;5-methyl-7H-indeno[2,1-b]carbazole;5-methyl-11H-indeno[1,2-b]carbazole;5-methyl-12H-indeno[1,2-c]carbazole?
The canonical SMILES for ethane;9-methyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-methylcarbazole;11-methyl-12H-indeno[2,1-a]carbazole;5-methyl-7H-indeno[2,1-b]carbazole;5-methyl-11H-indeno[1,2-b]carbazole;5-methyl-12H-indeno[1,2-c]carbazole is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cn1c2ccccc2c2c3c(ccc21)-c1ccccc1C3.Cn1c2ccccc2c2c3c(ccc21)Cc1ccccc1-3.Cn1c2ccccc2c2cc3c(cc21)-c1ccccc1C3.Cn1c2ccccc2c2cc3c(cc21)Cc1ccccc1-3.Cn1c2ccccc2c2ccc3c(c21)Cc1ccccc1-3.Cn1c2ccccc2c2ccccc21.
What is the InChIKey of ethane;9-methyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-methylcarbazole;11-methyl-12H-indeno[2,1-a]carbazole;5-methyl-7H-indeno[2,1-b]carbazole;5-methyl-11H-indeno[1,2-b]carbazole;5-methyl-12H-indeno[1,2-c]carbazole?
The InChIKey is FGIXDZCUPFKXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/5C20H15N.C13H11N.17C2H6/c1-21-19-9-5-4-8-16(19)18-12-17-14(11-20(18)21)10-13-6-2-3-7-15(13)17;1-21-19-9-5-4-8-16(19)18-11-14-10-13-6-2-3-7-15(13)17(14)12-20(18)21;1-21-17-9-5-4-8-16(17)20-18(21)11-10-14-12-13-6-2-3-7-15(13)19(14)20;1-21-18-9-5-4-8-16(18)20-17-12-13-6-2-3-7-14(13)15(17)10-11-19(20)21;1-21-19-9-5-4-8-16(19)17-11-10-15-14-7-3-2-6-13(14)12-18(15)20(17)21;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;17*1-2/h2*2-9,11-12H,10H2,1H3;3*2-11H,12H2,1H3;2-9H,1H3;17*1-2H3.
What are the key properties of ethane;9-methyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-methylcarbazole;11-methyl-12H-indeno[2,1-a]carbazole;5-methyl-7H-indeno[2,1-b]carbazole;5-methyl-11H-indeno[1,2-b]carbazole;5-methyl-12H-indeno[1,2-c]carbazole?
ethane;9-methyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-methylcarbazole;11-methyl-12H-indeno[2,1-a]carbazole;5-methyl-7H-indeno[2,1-b]carbazole;5-methyl-11H-indeno[1,2-b]carbazole;5-methyl-12H-indeno[1,2-c]carbazole has a molecular weight of 2039.16 g/mol, XLogP of 45.29, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;9-methyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-methylcarbazole;11-methyl-12H-indeno[2,1-a]carbazole;5-methyl-7H-indeno[2,1-b]carbazole;5-methyl-11H-indeno[1,2-b]carbazole;5-methyl-12H-indeno[1,2-c]carbazole is sourced from PubChem (CID 158023660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).