16-(3-phenylphenyl)-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene

C34H21N — CID 148871817

About 16-(3-phenylphenyl)-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene

16-(3-phenylphenyl)-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene (PubChem CID 148871817) has the molecular formula C34H21N and a molecular weight of 443.55 g/mol. Its IUPAC name is 16-(3-phenylphenyl)-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene.

Molecular Properties

• Compound Name: 16-(3-phenylphenyl)-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene
• PubChem CID: 148871817
• Molecular Formula: C34H21N
• Molecular Weight: 443.55 g/mol
• Exact Mass: 443.17
• IUPAC Name: 16-(3-phenylphenyl)-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene
• SMILES: c1ccc(-c2cccc(-c3ccc4c(c3)c3cccc5c6c7ccccc7ccc6n4c35)c2)cc1
• InChI: InChI=1S/C34H21N/c1-2-8-22(9-3-1)24-11-6-12-25(20-24)26-17-18-31-30(21-26)28-14-7-15-29-33-27-13-5-4-10-23(27)16-19-32(33)35(31)34(28)29/h1-21H
• InChIKey: PBICPBQOYSSEPP-UHFFFAOYSA-N
• XLogP: 9.32
• TPSA: 4.41 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	443.55
LogP ≤ 5	9.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 16-(3-phenylphenyl)-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene?

The IUPAC name of 16-(3-phenylphenyl)-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene (CID 148871817) is 16-(3-phenylphenyl)-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene.

What is the SMILES notation for 16-(3-phenylphenyl)-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene?

The canonical SMILES for 16-(3-phenylphenyl)-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene is c1ccc(-c2cccc(-c3ccc4c(c3)c3cccc5c6c7ccccc7ccc6n4c35)c2)cc1.

What is the InChIKey of 16-(3-phenylphenyl)-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene?

The InChIKey is PBICPBQOYSSEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H21N/c1-2-8-22(9-3-1)24-11-6-12-25(20-24)26-17-18-31-30(21-26)28-14-7-15-29-33-27-13-5-4-10-23(27)16-19-32(33)35(31)34(28)29/h1-21H.

What are the key properties of 16-(3-phenylphenyl)-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene?

16-(3-phenylphenyl)-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene has a molecular weight of 443.55 g/mol, XLogP of 9.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 16-(3-phenylphenyl)-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene is sourced from PubChem (CID 148871817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).