N-dibenzothiophen-1-yl-N-phenyl-18-oxahexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaen-6-amine;N-naphthalen-2-yl-N-(4-phenylphenyl)-24-oxahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine;N-naphthalen-2-yl-N-(4-phenylphenyl)-24-thiahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine;N-phenyl-N-(18-thiahexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaen-6-yl)dibenzofuran-1-amine

C176H108N4O3S3 — CID 165040664

About N-dibenzothiophen-1-yl-N-phenyl-18-oxahexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaen-6-amine;N-naphthalen-2-yl-N-(4-phenylphenyl)-24-oxahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine;N-naphthalen-2-yl-N-(4-phenylphenyl)-24-thiahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine;N-phenyl-N-(18-thiahexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaen-6-yl)dibenzofuran-1-amine

N-dibenzothiophen-1-yl-N-phenyl-18-oxahexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaen-6-amine;N-naphthalen-2-yl-N-(4-phenylphenyl)-24-oxahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine;N-naphthalen-2-yl-N-(4-phenylphenyl)-24-thiahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine;N-phenyl-N-(18-thiahexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaen-6-yl)dibenzofuran-1-amine (PubChem CID 165040664) has the molecular formula C176H108N4O3S3 and a molecular weight of 2423.03 g/mol. Its IUPAC name is N-dibenzothiophen-1-yl-N-phenyl-18-oxahexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaen-6-amine;N-naphthalen-2-yl-N-(4-phenylphenyl)-24-oxahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine;N-naphthalen-2-yl-N-(4-phenylphenyl)-24-thiahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine;N-phenyl-N-(18-thiahexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaen-6-yl)dibenzofuran-1-amine.

Molecular Properties

• Compound Name: N-dibenzothiophen-1-yl-N-phenyl-18-oxahexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaen-6-amine;N-naphthalen-2-yl-N-(4-phenylphenyl)-24-oxahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine;N-naphthalen-2-yl-N-(4-phenylphenyl)-24-thiahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine;N-phenyl-N-(18-thiahexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaen-6-yl)dibenzofuran-1-amine
• PubChem CID: 165040664
• Molecular Formula: C176H108N4O3S3
• Molecular Weight: 2423.03 g/mol
• Exact Mass: 2420.76
• IUPAC Name: N-dibenzothiophen-1-yl-N-phenyl-18-oxahexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaen-6-amine;N-naphthalen-2-yl-N-(4-phenylphenyl)-24-oxahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine;N-naphthalen-2-yl-N-(4-phenylphenyl)-24-thiahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine;N-phenyl-N-(18-thiahexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaen-6-yl)dibenzofuran-1-amine
• SMILES: c1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3ccc4c(ccc5ccc6ccc7c8ccccc8oc7c6c54)c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3ccc4c(ccc5ccc6ccc7c8ccccc8sc7c6c54)c3)cc2)cc1.c1ccc(N(c2ccc3c(ccc4ccc5ccc6oc7ccccc7c6c5c43)c2)c2cccc3sc4ccccc4c23)cc1.c1ccc(N(c2ccc3c(ccc4ccc5ccc6sc7ccccc7c6c5c43)c2)c2cccc3oc4ccccc4c23)cc1
• InChI: InChI=1S/C46H29NO.C46H29NS.2C42H25NOS/c2*1-2-8-30(9-3-1)32-18-22-37(23-19-32)47(38-24-20-31-10-4-5-11-35(31)28-38)39-25-27-40-36(29-39)17-16-33-14-15-34-21-26-42-41-12-6-7-13-43(41)48-46(42)45(34)44(33)40;1-2-9-29(10-3-1)43(34-13-8-15-36-41(34)32-11-4-6-14-35(32)44-36)30-22-23-31-28(25-30)20-19-26-17-18-27-21-24-38-42(40(27)39(26)31)33-12-5-7-16-37(33)45-38;1-2-9-29(10-3-1)43(34-13-8-16-38-41(34)33-12-5-7-15-37(33)45-38)30-22-23-31-28(25-30)20-19-26-17-18-27-21-24-36-42(40(27)39(26)31)32-11-4-6-14-35(32)44-36/h2*1-29H;2*1-25H
• InChIKey: OBRKGGSCNZGDOQ-UHFFFAOYSA-N
• XLogP: 52.91
• TPSA: 52.38 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 14
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2423.03
LogP ≤ 5	52.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-1-yl-N-phenyl-18-oxahexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaen-6-amine;N-naphthalen-2-yl-N-(4-phenylphenyl)-24-oxahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine;N-naphthalen-2-yl-N-(4-phenylphenyl)-24-thiahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine;N-phenyl-N-(18-thiahexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaen-6-yl)dibenzofuran-1-amine?

The IUPAC name of N-dibenzothiophen-1-yl-N-phenyl-18-oxahexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaen-6-amine;N-naphthalen-2-yl-N-(4-phenylphenyl)-24-oxahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine;N-naphthalen-2-yl-N-(4-phenylphenyl)-24-thiahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine;N-phenyl-N-(18-thiahexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaen-6-yl)dibenzofuran-1-amine (CID 165040664) is N-dibenzothiophen-1-yl-N-phenyl-18-oxahexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaen-6-amine;N-naphthalen-2-yl-N-(4-phenylphenyl)-24-oxahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine;N-naphthalen-2-yl-N-(4-phenylphenyl)-24-thiahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine;N-phenyl-N-(18-thiahexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaen-6-yl)dibenzofuran-1-amine.

What is the SMILES notation for N-dibenzothiophen-1-yl-N-phenyl-18-oxahexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaen-6-amine;N-naphthalen-2-yl-N-(4-phenylphenyl)-24-oxahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine;N-naphthalen-2-yl-N-(4-phenylphenyl)-24-thiahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine;N-phenyl-N-(18-thiahexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaen-6-yl)dibenzofuran-1-amine?

The canonical SMILES for N-dibenzothiophen-1-yl-N-phenyl-18-oxahexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaen-6-amine;N-naphthalen-2-yl-N-(4-phenylphenyl)-24-oxahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine;N-naphthalen-2-yl-N-(4-phenylphenyl)-24-thiahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine;N-phenyl-N-(18-thiahexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaen-6-yl)dibenzofuran-1-amine is c1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3ccc4c(ccc5ccc6ccc7c8ccccc8oc7c6c54)c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3ccc4c(ccc5ccc6ccc7c8ccccc8sc7c6c54)c3)cc2)cc1.c1ccc(N(c2ccc3c(ccc4ccc5ccc6oc7ccccc7c6c5c43)c2)c2cccc3sc4ccccc4c23)cc1.c1ccc(N(c2ccc3c(ccc4ccc5ccc6sc7ccccc7c6c5c43)c2)c2cccc3oc4ccccc4c23)cc1.

What is the InChIKey of N-dibenzothiophen-1-yl-N-phenyl-18-oxahexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaen-6-amine;N-naphthalen-2-yl-N-(4-phenylphenyl)-24-oxahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine;N-naphthalen-2-yl-N-(4-phenylphenyl)-24-thiahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine;N-phenyl-N-(18-thiahexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaen-6-yl)dibenzofuran-1-amine?

The InChIKey is OBRKGGSCNZGDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29NO.C46H29NS.2C42H25NOS/c2*1-2-8-30(9-3-1)32-18-22-37(23-19-32)47(38-24-20-31-10-4-5-11-35(31)28-38)39-25-27-40-36(29-39)17-16-33-14-15-34-21-26-42-41-12-6-7-13-43(41)48-46(42)45(34)44(33)40;1-2-9-29(10-3-1)43(34-13-8-15-36-41(34)32-11-4-6-14-35(32)44-36)30-22-23-31-28(25-30)20-19-26-17-18-27-21-24-38-42(40(27)39(26)31)33-12-5-7-16-37(33)45-38;1-2-9-29(10-3-1)43(34-13-8-16-38-41(34)33-12-5-7-15-37(33)45-38)30-22-23-31-28(25-30)20-19-26-17-18-27-21-24-36-42(40(27)39(26)31)32-11-4-6-14-35(32)44-36/h2*1-29H;2*1-25H.

What are the key properties of N-dibenzothiophen-1-yl-N-phenyl-18-oxahexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaen-6-amine;N-naphthalen-2-yl-N-(4-phenylphenyl)-24-oxahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine;N-naphthalen-2-yl-N-(4-phenylphenyl)-24-thiahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine;N-phenyl-N-(18-thiahexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaen-6-yl)dibenzofuran-1-amine?

N-dibenzothiophen-1-yl-N-phenyl-18-oxahexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaen-6-amine;N-naphthalen-2-yl-N-(4-phenylphenyl)-24-oxahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine;N-naphthalen-2-yl-N-(4-phenylphenyl)-24-thiahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine;N-phenyl-N-(18-thiahexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaen-6-yl)dibenzofuran-1-amine has a molecular weight of 2423.03 g/mol, XLogP of 52.91, 14 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-dibenzothiophen-1-yl-N-phenyl-18-oxahexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaen-6-amine;N-naphthalen-2-yl-N-(4-phenylphenyl)-24-oxahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine;N-naphthalen-2-yl-N-(4-phenylphenyl)-24-thiahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine;N-phenyl-N-(18-thiahexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaen-6-yl)dibenzofuran-1-amine is sourced from PubChem (CID 165040664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).