3-naphthalen-2-yl-7-(5-pyridin-4-ylfuran-2-yl)-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22,24-dodecaene;7-(1,10-phenanthrolin-5-yl)-3-phenyl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22,24-dodecaene;3-phenyl-7-[4-(1-phenylpyrazol-4-yl)phenyl]-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22,24-dodecaene;3-phenyl-7-[5-(5-phenylthiophen-2-yl)thiophen-2-yl]-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22,24-dodecaene

C174H107N9OS2 — CID 157484717

About 3-naphthalen-2-yl-7-(5-pyridin-4-ylfuran-2-yl)-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22,24-dodecaene;7-(1,10-phenanthrolin-5-yl)-3-phenyl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22,24-dodecaene;3-phenyl-7-[4-(1-phenylpyrazol-4-yl)phenyl]-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22,24-dodecaene;3-phenyl-7-[5-(5-phenylthiophen-2-yl)thiophen-2-yl]-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22,24-dodecaene

3-naphthalen-2-yl-7-(5-pyridin-4-ylfuran-2-yl)-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22,24-dodecaene;7-(1,10-phenanthrolin-5-yl)-3-phenyl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22,24-dodecaene;3-phenyl-7-[4-(1-phenylpyrazol-4-yl)phenyl]-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22,24-dodecaene;3-phenyl-7-[5-(5-phenylthiophen-2-yl)thiophen-2-yl]-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22,24-dodecaene (PubChem CID 157484717) has the molecular formula C174H107N9OS2 and a molecular weight of 2403.97 g/mol. Its IUPAC name is 3-naphthalen-2-yl-7-(5-pyridin-4-ylfuran-2-yl)-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22,24-dodecaene;7-(1,10-phenanthrolin-5-yl)-3-phenyl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22,24-dodecaene;3-phenyl-7-[4-(1-phenylpyrazol-4-yl)phenyl]-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22,24-dodecaene;3-phenyl-7-[5-(5-phenylthiophen-2-yl)thiophen-2-yl]-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22,24-dodecaene.

Molecular Properties

• Compound Name: 3-naphthalen-2-yl-7-(5-pyridin-4-ylfuran-2-yl)-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22,24-dodecaene;7-(1,10-phenanthrolin-5-yl)-3-phenyl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22,24-dodecaene;3-phenyl-7-[4-(1-phenylpyrazol-4-yl)phenyl]-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22,24-dodecaene;3-phenyl-7-[5-(5-phenylthiophen-2-yl)thiophen-2-yl]-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22,24-dodecaene
• PubChem CID: 157484717
• Molecular Formula: C174H107N9OS2
• Molecular Weight: 2403.97 g/mol
• Exact Mass: 2401.80
• IUPAC Name: 3-naphthalen-2-yl-7-(5-pyridin-4-ylfuran-2-yl)-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22,24-dodecaene;7-(1,10-phenanthrolin-5-yl)-3-phenyl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22,24-dodecaene;3-phenyl-7-[4-(1-phenylpyrazol-4-yl)phenyl]-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22,24-dodecaene;3-phenyl-7-[5-(5-phenylthiophen-2-yl)thiophen-2-yl]-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22,24-dodecaene
• SMILES: c1ccc(-c2ccc(-c3ccc(-c4ccc5c(c4)c4c6ccccc6c6ccc7ccccc7c6c4n5-c4ccccc4)s3)s2)cc1.c1ccc(-n2c3ccc(-c4cc5cccnc5c5ncccc45)cc3c3c4ccccc4c4ccc5ccccc5c4c32)cc1.c1ccc(-n2cc(-c3ccc(-c4ccc5c(c4)c4c6ccccc6c6ccc7ccccc7c6c4n5-c4ccccc4)cc3)cn2)cc1.c1ccc2cc(-n3c4ccc(-c5ccc(-c6ccncc6)o5)cc4c4c5ccccc5c5ccc6ccccc6c5c43)ccc2c1
• InChI: InChI=1S/C45H29N3.C44H27NS2.C43H26N2O.C42H25N3/c1-3-12-35(13-4-1)47-29-34(28-46-47)31-21-19-30(20-22-31)33-24-26-42-41(27-33)44-39-18-10-9-17-38(39)40-25-23-32-11-7-8-16-37(32)43(40)45(44)48(42)36-14-5-2-6-15-36;1-3-12-29(13-4-1)38-23-25-40(46-38)41-26-24-39(47-41)30-20-22-37-36(27-30)43-34-18-10-9-17-33(34)35-21-19-28-11-7-8-16-32(28)42(35)44(43)45(37)31-14-5-2-6-15-31;1-2-9-30-25-32(16-13-27(30)7-1)45-38-18-15-31(40-20-19-39(46-40)29-21-23-44-24-22-29)26-37(38)42-35-12-6-5-11-34(35)36-17-14-28-8-3-4-10-33(28)41(36)43(42)45;1-2-12-29(13-3-1)45-37-21-19-27(35-25-28-11-8-22-43-40(28)41-34(35)17-9-23-44-41)24-36(37)39-32-16-7-6-15-31(32)33-20-18-26-10-4-5-14-30(26)38(33)42(39)45/h1-29H;1-27H;1-26H;1-25H
• InChIKey: BWONGUSDETYUHB-UHFFFAOYSA-N
• XLogP: 47.86
• TPSA: 89.35 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 13
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2403.97
LogP ≤ 5	47.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-yl-7-(5-pyridin-4-ylfuran-2-yl)-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22,24-dodecaene;7-(1,10-phenanthrolin-5-yl)-3-phenyl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22,24-dodecaene;3-phenyl-7-[4-(1-phenylpyrazol-4-yl)phenyl]-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22,24-dodecaene;3-phenyl-7-[5-(5-phenylthiophen-2-yl)thiophen-2-yl]-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22,24-dodecaene?

The IUPAC name of 3-naphthalen-2-yl-7-(5-pyridin-4-ylfuran-2-yl)-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22,24-dodecaene;7-(1,10-phenanthrolin-5-yl)-3-phenyl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22,24-dodecaene;3-phenyl-7-[4-(1-phenylpyrazol-4-yl)phenyl]-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22,24-dodecaene;3-phenyl-7-[5-(5-phenylthiophen-2-yl)thiophen-2-yl]-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22,24-dodecaene (CID 157484717) is 3-naphthalen-2-yl-7-(5-pyridin-4-ylfuran-2-yl)-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22,24-dodecaene;7-(1,10-phenanthrolin-5-yl)-3-phenyl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22,24-dodecaene;3-phenyl-7-[4-(1-phenylpyrazol-4-yl)phenyl]-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22,24-dodecaene;3-phenyl-7-[5-(5-phenylthiophen-2-yl)thiophen-2-yl]-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22,24-dodecaene.

What is the SMILES notation for 3-naphthalen-2-yl-7-(5-pyridin-4-ylfuran-2-yl)-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22,24-dodecaene;7-(1,10-phenanthrolin-5-yl)-3-phenyl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22,24-dodecaene;3-phenyl-7-[4-(1-phenylpyrazol-4-yl)phenyl]-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22,24-dodecaene;3-phenyl-7-[5-(5-phenylthiophen-2-yl)thiophen-2-yl]-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22,24-dodecaene?

The canonical SMILES for 3-naphthalen-2-yl-7-(5-pyridin-4-ylfuran-2-yl)-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22,24-dodecaene;7-(1,10-phenanthrolin-5-yl)-3-phenyl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22,24-dodecaene;3-phenyl-7-[4-(1-phenylpyrazol-4-yl)phenyl]-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22,24-dodecaene;3-phenyl-7-[5-(5-phenylthiophen-2-yl)thiophen-2-yl]-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22,24-dodecaene is c1ccc(-c2ccc(-c3ccc(-c4ccc5c(c4)c4c6ccccc6c6ccc7ccccc7c6c4n5-c4ccccc4)s3)s2)cc1.c1ccc(-n2c3ccc(-c4cc5cccnc5c5ncccc45)cc3c3c4ccccc4c4ccc5ccccc5c4c32)cc1.c1ccc(-n2cc(-c3ccc(-c4ccc5c(c4)c4c6ccccc6c6ccc7ccccc7c6c4n5-c4ccccc4)cc3)cn2)cc1.c1ccc2cc(-n3c4ccc(-c5ccc(-c6ccncc6)o5)cc4c4c5ccccc5c5ccc6ccccc6c5c43)ccc2c1.

What is the InChIKey of 3-naphthalen-2-yl-7-(5-pyridin-4-ylfuran-2-yl)-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22,24-dodecaene;7-(1,10-phenanthrolin-5-yl)-3-phenyl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22,24-dodecaene;3-phenyl-7-[4-(1-phenylpyrazol-4-yl)phenyl]-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22,24-dodecaene;3-phenyl-7-[5-(5-phenylthiophen-2-yl)thiophen-2-yl]-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22,24-dodecaene?

The InChIKey is BWONGUSDETYUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N3.C44H27NS2.C43H26N2O.C42H25N3/c1-3-12-35(13-4-1)47-29-34(28-46-47)31-21-19-30(20-22-31)33-24-26-42-41(27-33)44-39-18-10-9-17-38(39)40-25-23-32-11-7-8-16-37(32)43(40)45(44)48(42)36-14-5-2-6-15-36;1-3-12-29(13-4-1)38-23-25-40(46-38)41-26-24-39(47-41)30-20-22-37-36(27-30)43-34-18-10-9-17-33(34)35-21-19-28-11-7-8-16-32(28)42(35)44(43)45(37)31-14-5-2-6-15-31;1-2-9-30-25-32(16-13-27(30)7-1)45-38-18-15-31(40-20-19-39(46-40)29-21-23-44-24-22-29)26-37(38)42-35-12-6-5-11-34(35)36-17-14-28-8-3-4-10-33(28)41(36)43(42)45;1-2-12-29(13-3-1)45-37-21-19-27(35-25-28-11-8-22-43-40(28)41-34(35)17-9-23-44-41)24-36(37)39-32-16-7-6-15-31(32)33-20-18-26-10-4-5-14-30(26)38(33)42(39)45/h1-29H;1-27H;1-26H;1-25H.

What are the key properties of 3-naphthalen-2-yl-7-(5-pyridin-4-ylfuran-2-yl)-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22,24-dodecaene;7-(1,10-phenanthrolin-5-yl)-3-phenyl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22,24-dodecaene;3-phenyl-7-[4-(1-phenylpyrazol-4-yl)phenyl]-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22,24-dodecaene;3-phenyl-7-[5-(5-phenylthiophen-2-yl)thiophen-2-yl]-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22,24-dodecaene?

3-naphthalen-2-yl-7-(5-pyridin-4-ylfuran-2-yl)-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22,24-dodecaene;7-(1,10-phenanthrolin-5-yl)-3-phenyl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22,24-dodecaene;3-phenyl-7-[4-(1-phenylpyrazol-4-yl)phenyl]-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22,24-dodecaene;3-phenyl-7-[5-(5-phenylthiophen-2-yl)thiophen-2-yl]-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22,24-dodecaene has a molecular weight of 2403.97 g/mol, XLogP of 47.86, 13 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-naphthalen-2-yl-7-(5-pyridin-4-ylfuran-2-yl)-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22,24-dodecaene;7-(1,10-phenanthrolin-5-yl)-3-phenyl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22,24-dodecaene;3-phenyl-7-[4-(1-phenylpyrazol-4-yl)phenyl]-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22,24-dodecaene;3-phenyl-7-[5-(5-phenylthiophen-2-yl)thiophen-2-yl]-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22,24-dodecaene is sourced from PubChem (CID 157484717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).