1-azapentadecacyclo[32.28.1.02,29.04,27.06,25.07,12.013,18.019,24.030,63.035,62.037,60.039,58.040,45.046,51.052,57]trihexaconta-2(29),3,5,7,9,11,13,15,17,19,21,23,25,27,30(63),31,33,35(62),36,38,40,42,44,46,48,50,52,54,56,58,60-hentriacontaene

C62H35N — CID 170211005

About 1-azapentadecacyclo[32.28.1.02,29.04,27.06,25.07,12.013,18.019,24.030,63.035,62.037,60.039,58.040,45.046,51.052,57]trihexaconta-2(29),3,5,7,9,11,13,15,17,19,21,23,25,27,30(63),31,33,35(62),36,38,40,42,44,46,48,50,52,54,56,58,60-hentriacontaene

1-azapentadecacyclo[32.28.1.02,29.04,27.06,25.07,12.013,18.019,24.030,63.035,62.037,60.039,58.040,45.046,51.052,57]trihexaconta-2(29),3,5,7,9,11,13,15,17,19,21,23,25,27,30(63),31,33,35(62),36,38,40,42,44,46,48,50,52,54,56,58,60-hentriacontaene (PubChem CID 170211005) has the molecular formula C62H35N and a molecular weight of 793.97 g/mol. Its IUPAC name is 1-azapentadecacyclo[32.28.1.02,29.04,27.06,25.07,12.013,18.019,24.030,63.035,62.037,60.039,58.040,45.046,51.052,57]trihexaconta-2(29),3,5,7,9,11,13,15,17,19,21,23,25,27,30(63),31,33,35(62),36,38,40,42,44,46,48,50,52,54,56,58,60-hentriacontaene.

Molecular Properties

• Compound Name: 1-azapentadecacyclo[32.28.1.02,29.04,27.06,25.07,12.013,18.019,24.030,63.035,62.037,60.039,58.040,45.046,51.052,57]trihexaconta-2(29),3,5,7,9,11,13,15,17,19,21,23,25,27,30(63),31,33,35(62),36,38,40,42,44,46,48,50,52,54,56,58,60-hentriacontaene
• PubChem CID: 170211005
• Molecular Formula: C62H35N
• Molecular Weight: 793.97 g/mol
• Exact Mass: 793.28
• IUPAC Name: 1-azapentadecacyclo[32.28.1.02,29.04,27.06,25.07,12.013,18.019,24.030,63.035,62.037,60.039,58.040,45.046,51.052,57]trihexaconta-2(29),3,5,7,9,11,13,15,17,19,21,23,25,27,30(63),31,33,35(62),36,38,40,42,44,46,48,50,52,54,56,58,60-hentriacontaene
• SMILES: c1ccc2c(c1)-c1ccccc1-c1cc3cc4c5cccc6c7cc8cc9c(cc8cc7n(c4cc3cc1-c1ccccc1-2)c56)-c1ccccc1-c1ccccc1-c1ccccc1-9
• InChI: InChI=1S/C62H35N/c1-3-16-42-40(14-1)44-18-5-9-22-48(44)54-28-36-32-58-52-26-13-27-53-59-33-37-29-55-49-23-10-6-19-45(49)41-15-2-4-17-43(41)47-21-8-12-25-51(47)57(55)31-39(37)35-61(59)63(62(52)53)60(58)34-38(36)30-56(54)50-24-11-7-20-46(42)50/h1-35H/b44-40-,45-41-,46-42-,47-43-,54-48-,55-49-,56-50-,57-51-
• InChIKey: PDTHULYXRFWEHP-MTPKNCIMSA-N
• XLogP: 17.11
• TPSA: 4.41 Ų
• H-Bond Acceptors: 1
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	793.97
LogP ≤ 5	17.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 1-azapentadecacyclo[32.28.1.02,29.04,27.06,25.07,12.013,18.019,24.030,63.035,62.037,60.039,58.040,45.046,51.052,57]trihexaconta-2(29),3,5,7,9,11,13,15,17,19,21,23,25,27,30(63),31,33,35(62),36,38,40,42,44,46,48,50,52,54,56,58,60-hentriacontaene?

The IUPAC name of 1-azapentadecacyclo[32.28.1.02,29.04,27.06,25.07,12.013,18.019,24.030,63.035,62.037,60.039,58.040,45.046,51.052,57]trihexaconta-2(29),3,5,7,9,11,13,15,17,19,21,23,25,27,30(63),31,33,35(62),36,38,40,42,44,46,48,50,52,54,56,58,60-hentriacontaene (CID 170211005) is 1-azapentadecacyclo[32.28.1.02,29.04,27.06,25.07,12.013,18.019,24.030,63.035,62.037,60.039,58.040,45.046,51.052,57]trihexaconta-2(29),3,5,7,9,11,13,15,17,19,21,23,25,27,30(63),31,33,35(62),36,38,40,42,44,46,48,50,52,54,56,58,60-hentriacontaene.

What is the SMILES notation for 1-azapentadecacyclo[32.28.1.02,29.04,27.06,25.07,12.013,18.019,24.030,63.035,62.037,60.039,58.040,45.046,51.052,57]trihexaconta-2(29),3,5,7,9,11,13,15,17,19,21,23,25,27,30(63),31,33,35(62),36,38,40,42,44,46,48,50,52,54,56,58,60-hentriacontaene?

The canonical SMILES for 1-azapentadecacyclo[32.28.1.02,29.04,27.06,25.07,12.013,18.019,24.030,63.035,62.037,60.039,58.040,45.046,51.052,57]trihexaconta-2(29),3,5,7,9,11,13,15,17,19,21,23,25,27,30(63),31,33,35(62),36,38,40,42,44,46,48,50,52,54,56,58,60-hentriacontaene is c1ccc2c(c1)-c1ccccc1-c1cc3cc4c5cccc6c7cc8cc9c(cc8cc7n(c4cc3cc1-c1ccccc1-2)c56)-c1ccccc1-c1ccccc1-c1ccccc1-9.

What is the InChIKey of 1-azapentadecacyclo[32.28.1.02,29.04,27.06,25.07,12.013,18.019,24.030,63.035,62.037,60.039,58.040,45.046,51.052,57]trihexaconta-2(29),3,5,7,9,11,13,15,17,19,21,23,25,27,30(63),31,33,35(62),36,38,40,42,44,46,48,50,52,54,56,58,60-hentriacontaene?

The InChIKey is PDTHULYXRFWEHP-MTPKNCIMSA-N. The full InChI is InChI=1S/C62H35N/c1-3-16-42-40(14-1)44-18-5-9-22-48(44)54-28-36-32-58-52-26-13-27-53-59-33-37-29-55-49-23-10-6-19-45(49)41-15-2-4-17-43(41)47-21-8-12-25-51(47)57(55)31-39(37)35-61(59)63(62(52)53)60(58)34-38(36)30-56(54)50-24-11-7-20-46(42)50/h1-35H/b44-40-,45-41-,46-42-,47-43-,54-48-,55-49-,56-50-,57-51-.

What are the key properties of 1-azapentadecacyclo[32.28.1.02,29.04,27.06,25.07,12.013,18.019,24.030,63.035,62.037,60.039,58.040,45.046,51.052,57]trihexaconta-2(29),3,5,7,9,11,13,15,17,19,21,23,25,27,30(63),31,33,35(62),36,38,40,42,44,46,48,50,52,54,56,58,60-hentriacontaene?

1-azapentadecacyclo[32.28.1.02,29.04,27.06,25.07,12.013,18.019,24.030,63.035,62.037,60.039,58.040,45.046,51.052,57]trihexaconta-2(29),3,5,7,9,11,13,15,17,19,21,23,25,27,30(63),31,33,35(62),36,38,40,42,44,46,48,50,52,54,56,58,60-hentriacontaene has a molecular weight of 793.97 g/mol, XLogP of 17.11, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1-azapentadecacyclo[32.28.1.02,29.04,27.06,25.07,12.013,18.019,24.030,63.035,62.037,60.039,58.040,45.046,51.052,57]trihexaconta-2(29),3,5,7,9,11,13,15,17,19,21,23,25,27,30(63),31,33,35(62),36,38,40,42,44,46,48,50,52,54,56,58,60-hentriacontaene is sourced from PubChem (CID 170211005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).