29-azanonacyclo[18.15.0.03,18.04,16.05,13.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5(13),7,9,11,14,18,21,23,25,27,30,32,34-hexadecaene

C34H21N — CID 158301549

IUPAC29-azanonacyclo[18.15.0.03,18.04,16.05,13.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5(13),7,9,11,14,18,21,23,25,27,30,32,34-hexadecaene
SMILESc1ccc2c(c1)Cc1c-2ccc2c1-c1cc3c4ccccc4n4c5ccccc5cc4c3cc1C2
InChIInChI=1S/C34H21N/c1-3-9-24-20(7-1)16-30-25(24)14-13-22-15-23-17-29-28(19-27(23)34(22)30)26-10-4-6-12-32(26)35-31-11-5-2-8-21(31)18-33(29)35/h1-14,17-19H,15-16H2
InChIKeyPASOBOQATXCKEV-UHFFFAOYSA-N
MW443.55 g/mol
LogP8.54
Rot. Bonds

About 29-azanonacyclo[18.15.0.03,18.04,16.05,13.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5(13),7,9,11,14,18,21,23,25,27,30,32,34-hexadecaene

29-azanonacyclo[18.15.0.03,18.04,16.05,13.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5(13),7,9,11,14,18,21,23,25,27,30,32,34-hexadecaene (PubChem CID 158301549) has the molecular formula C34H21N and a molecular weight of 443.55 g/mol. Its IUPAC name is 29-azanonacyclo[18.15.0.03,18.04,16.05,13.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5(13),7,9,11,14,18,21,23,25,27,30,32,34-hexadecaene.

Molecular Properties

Compound Name29-azanonacyclo[18.15.0.03,18.04,16.05,13.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5(13),7,9,11,14,18,21,23,25,27,30,32,34-hexadecaene
PubChem CID158301549
Molecular FormulaC34H21N
Molecular Weight443.55 g/mol
Exact Mass443.17
IUPAC Name29-azanonacyclo[18.15.0.03,18.04,16.05,13.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5(13),7,9,11,14,18,21,23,25,27,30,32,34-hexadecaene
SMILESc1ccc2c(c1)Cc1c-2ccc2c1-c1cc3c4ccccc4n4c5ccccc5cc4c3cc1C2
InChIInChI=1S/C34H21N/c1-3-9-24-20(7-1)16-30-25(24)14-13-22-15-23-17-29-28(19-27(23)34(22)30)26-10-4-6-12-32(26)35-31-11-5-2-8-21(31)18-33(29)35/h1-14,17-19H,15-16H2
InChIKeyPASOBOQATXCKEV-UHFFFAOYSA-N
XLogP8.54
TPSA4.41 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.55
LogP ≤ 58.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 29-azanonacyclo[18.15.0.03,18.04,16.05,13.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5(13),7,9,11,14,18,21,23,25,27,30,32,34-hexadecaene with MolForge

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Related Compounds

27-azanonacyclo[18.15.0.03,18.04,16.06,14.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7,9,11,14,18,21,23,25,28,30,32,34-hexadecaene;27-azanonacyclo[18.15.0.03,18.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7(15),8,10,12,18,21,23,25,28,30,32,34-hexadecaene;27-azanonacyclo[18.15.0.03,18.04,16.07,15.09,14.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7(15),9,11,13,18,21,23,25,28,30,32,34-hexadecaene;29-azanonacyclo[18.15.0.03,18.04,16.05,13.06,11.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21,23,25,27,30,32,34-hexadecaene;29-azanonacyclo[18.15.0.03,18.04,16.06,14.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5,7,9,11,14,18,21,23,25,27,30,32,34-hexadecaene;29-azanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,21,23,25,27,30,32,34-hexadecaene;ethane;methane
CID 161380999
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-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
1-azanonacyclo[21.10.1.02,21.04,19.06,18.09,17.010,15.027,34.028,33]tetratriaconta-2,4(19),6(18),7,9(17),10,12,14,20,23(34),24,26,28,30,32-pentadecaene
CID 167548772
10-methyl-7,12-dihydroindeno[1,2-a]fluorene
CID 161385302
2,16-diazaoctacyclo[15.14.0.02,15.03,8.09,14.019,31.020,28.021,26]hentriaconta-1(17),3,5,7,9,11,13,15,19(31),20(28),21,23,25,29-tetradecaene
CID 159088060
1-azanonacyclo[21.10.1.02,21.05,20.07,19.08,16.010,15.027,34.028,33]tetratriaconta-2(21),3,5(20),7(19),8(16),10,12,14,17,23(34),24,26,28,30,32-pentadecaene;1-azanonacyclo[21.10.1.02,21.05,20.07,19.09,17.010,15.027,34.028,33]tetratriaconta-2(21),3,5(20),7,9(17),10,12,14,18,23(34),24,26,28,30,32-pentadecaene;1-azanonacyclo[21.10.1.02,21.05,20.07,19.09,17.011,16.027,34.028,33]tetratriaconta-2(21),3,5(20),7(19),8,11,13,15,17,23(34),24,26,28,30,32-pentadecaene;ethane
CID 167590703
26-azanonacyclo[17.14.1.02,17.03,15.06,14.08,13.020,25.026,34.027,32]tetratriaconta-1,3(15),4,6(14),8,10,12,17,19(34),20,22,24,27,29,31-pentadecaene
CID 167571725
21,35-diazanonacyclo[18.15.0.02,17.03,15.06,14.08,13.021,34.022,27.028,33]pentatriaconta-1(20),2(17),3(15),4,6(14),8,10,12,18,22,24,26,28,30,32,34-hexadecaene
CID 158917113
21,35-diazanonacyclo[18.15.0.02,17.04,16.05,13.06,11.021,34.022,27.028,33]pentatriaconta-1(20),2(17),4(16),5(13),6,8,10,14,18,22,24,26,28,30,32,34-hexadecaene
CID 161080831
bis(7,12-dihydroindeno[1,2-a]fluorene);bis(11,12-dihydroindeno[2,1-a]fluorene);bis(10,12-dihydroindeno[2,1-b]fluorene);ethane
CID 160769436
22-azanonacyclo[20.11.1.02,21.04,19.05,17.08,16.010,15.023,28.030,34]tetratriaconta-1(33),2(21),3,5(17),6,8(16),10,12,14,19,23,25,27,30(34),31-pentadecaene
CID 167564385

Frequently Asked Questions

What is the IUPAC name of 29-azanonacyclo[18.15.0.03,18.04,16.05,13.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5(13),7,9,11,14,18,21,23,25,27,30,32,34-hexadecaene?
The IUPAC name of 29-azanonacyclo[18.15.0.03,18.04,16.05,13.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5(13),7,9,11,14,18,21,23,25,27,30,32,34-hexadecaene (CID 158301549) is 29-azanonacyclo[18.15.0.03,18.04,16.05,13.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5(13),7,9,11,14,18,21,23,25,27,30,32,34-hexadecaene.
What is the SMILES notation for 29-azanonacyclo[18.15.0.03,18.04,16.05,13.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5(13),7,9,11,14,18,21,23,25,27,30,32,34-hexadecaene?
The canonical SMILES for 29-azanonacyclo[18.15.0.03,18.04,16.05,13.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5(13),7,9,11,14,18,21,23,25,27,30,32,34-hexadecaene is c1ccc2c(c1)Cc1c-2ccc2c1-c1cc3c4ccccc4n4c5ccccc5cc4c3cc1C2.
What is the InChIKey of 29-azanonacyclo[18.15.0.03,18.04,16.05,13.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5(13),7,9,11,14,18,21,23,25,27,30,32,34-hexadecaene?
The InChIKey is PASOBOQATXCKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H21N/c1-3-9-24-20(7-1)16-30-25(24)14-13-22-15-23-17-29-28(19-27(23)34(22)30)26-10-4-6-12-32(26)35-31-11-5-2-8-21(31)18-33(29)35/h1-14,17-19H,15-16H2.
What are the key properties of 29-azanonacyclo[18.15.0.03,18.04,16.05,13.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5(13),7,9,11,14,18,21,23,25,27,30,32,34-hexadecaene?
29-azanonacyclo[18.15.0.03,18.04,16.05,13.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5(13),7,9,11,14,18,21,23,25,27,30,32,34-hexadecaene has a molecular weight of 443.55 g/mol, XLogP of 8.54, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 29-azanonacyclo[18.15.0.03,18.04,16.05,13.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5(13),7,9,11,14,18,21,23,25,27,30,32,34-hexadecaene is sourced from PubChem (CID 158301549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).