14-[4-(1,6-naphthyridin-2-yl)phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];14-(4-quinazolin-2-ylphenyl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];14-(4-quinolin-3-ylphenyl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];14-(4-quinolin-6-ylphenyl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];2-[4-(4-spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]-14-ylphenyl)phenyl]-1,3-benzothiazole

C237H140N12S — CID 158553786

About 14-[4-(1,6-naphthyridin-2-yl)phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];14-(4-quinazolin-2-ylphenyl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];14-(4-quinolin-3-ylphenyl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];14-(4-quinolin-6-ylphenyl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];2-[4-(4-spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]-14-ylphenyl)phenyl]-1,3-benzothiazole

14-[4-(1,6-naphthyridin-2-yl)phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];14-(4-quinazolin-2-ylphenyl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];14-(4-quinolin-3-ylphenyl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];14-(4-quinolin-6-ylphenyl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];2-[4-(4-spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]-14-ylphenyl)phenyl]-1,3-benzothiazole (PubChem CID 158553786) has the molecular formula C237H140N12S and a molecular weight of 3187.88 g/mol. Its IUPAC name is 14-[4-(1,6-naphthyridin-2-yl)phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];14-(4-quinazolin-2-ylphenyl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];14-(4-quinolin-3-ylphenyl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];14-(4-quinolin-6-ylphenyl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];2-[4-(4-spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]-14-ylphenyl)phenyl]-1,3-benzothiazole.

Molecular Properties

• Compound Name: 14-[4-(1,6-naphthyridin-2-yl)phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];14-(4-quinazolin-2-ylphenyl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];14-(4-quinolin-3-ylphenyl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];14-(4-quinolin-6-ylphenyl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];2-[4-(4-spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]-14-ylphenyl)phenyl]-1,3-benzothiazole
• PubChem CID: 158553786
• Molecular Formula: C237H140N12S
• Molecular Weight: 3187.88 g/mol
• Exact Mass: 3185.10
• IUPAC Name: 14-[4-(1,6-naphthyridin-2-yl)phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];14-(4-quinazolin-2-ylphenyl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];14-(4-quinolin-3-ylphenyl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];14-(4-quinolin-6-ylphenyl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];2-[4-(4-spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]-14-ylphenyl)phenyl]-1,3-benzothiazole
• SMILES: c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c1ccc1c(-c3ccc(-c4ccc(-c5nc6ccccc6s5)cc4)cc3)nc3ccccc3c21.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c1ccc1c(-c3ccc(-c4ccc5cnccc5n4)cc3)nc3ccccc3c21.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c1ccc1c(-c3ccc(-c4ccc5ncccc5c4)cc3)nc3ccccc3c21.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c1ccc1c(-c3ccc(-c4cnc5ccccc5c4)cc3)nc3ccccc3c21.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c1ccc1c(-c3ccc(-c4ncc5ccccc5n4)cc3)nc3ccccc3c21
• InChI: InChI=1S/C51H30N2S.2C47H28N2.2C46H27N3/c1-5-15-40-35(11-1)36-12-2-6-16-41(36)51(40)42-17-7-3-13-37(42)48-43(51)30-29-39-47(48)38-14-4-8-18-44(38)52-49(39)33-25-21-31(22-26-33)32-23-27-34(28-24-32)50-53-45-19-9-10-20-46(45)54-50;1-9-19-42-31(11-1)27-32(28-48-42)29-21-23-30(24-22-29)46-37-25-26-41-45(44(37)36-15-5-10-20-43(36)49-46)35-14-4-8-18-40(35)47(41)38-16-6-2-12-33(38)34-13-3-7-17-39(34)47;1-5-15-38-33(11-1)34-12-2-6-16-39(34)47(38)40-17-7-3-13-35(40)45-41(47)25-24-37-44(45)36-14-4-8-18-43(36)49-46(37)30-21-19-29(20-22-30)31-23-26-42-32(28-31)10-9-27-48-42;1-9-19-40-30(11-1)27-47-45(49-40)29-23-21-28(22-24-29)44-35-25-26-39-43(42(35)34-15-5-10-20-41(34)48-44)33-14-4-8-18-38(33)46(39)36-16-6-2-12-31(36)32-13-3-7-17-37(32)46;1-5-13-36-31(9-1)32-10-2-6-14-37(32)46(36)38-15-7-3-11-33(38)44-39(46)23-22-35-43(44)34-12-4-8-16-42(34)49-45(35)29-19-17-28(18-20-29)40-24-21-30-27-47-26-25-41(30)48-40/h1-30H;2*1-28H;2*1-27H
• InChIKey: HQAOGVJKLGNKPW-UHFFFAOYSA-N
• XLogP: 58.59
• TPSA: 154.68 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 11
• Heavy Atoms: 250
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3187.88
LogP ≤ 5	58.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 14-[4-(1,6-naphthyridin-2-yl)phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];14-(4-quinazolin-2-ylphenyl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];14-(4-quinolin-3-ylphenyl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];14-(4-quinolin-6-ylphenyl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];2-[4-(4-spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]-14-ylphenyl)phenyl]-1,3-benzothiazole?

The IUPAC name of 14-[4-(1,6-naphthyridin-2-yl)phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];14-(4-quinazolin-2-ylphenyl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];14-(4-quinolin-3-ylphenyl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];14-(4-quinolin-6-ylphenyl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];2-[4-(4-spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]-14-ylphenyl)phenyl]-1,3-benzothiazole (CID 158553786) is 14-[4-(1,6-naphthyridin-2-yl)phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];14-(4-quinazolin-2-ylphenyl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];14-(4-quinolin-3-ylphenyl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];14-(4-quinolin-6-ylphenyl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];2-[4-(4-spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]-14-ylphenyl)phenyl]-1,3-benzothiazole.

What is the SMILES notation for 14-[4-(1,6-naphthyridin-2-yl)phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];14-(4-quinazolin-2-ylphenyl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];14-(4-quinolin-3-ylphenyl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];14-(4-quinolin-6-ylphenyl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];2-[4-(4-spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]-14-ylphenyl)phenyl]-1,3-benzothiazole?

The canonical SMILES for 14-[4-(1,6-naphthyridin-2-yl)phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];14-(4-quinazolin-2-ylphenyl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];14-(4-quinolin-3-ylphenyl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];14-(4-quinolin-6-ylphenyl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];2-[4-(4-spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]-14-ylphenyl)phenyl]-1,3-benzothiazole is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c1ccc1c(-c3ccc(-c4ccc(-c5nc6ccccc6s5)cc4)cc3)nc3ccccc3c21.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c1ccc1c(-c3ccc(-c4ccc5cnccc5n4)cc3)nc3ccccc3c21.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c1ccc1c(-c3ccc(-c4ccc5ncccc5c4)cc3)nc3ccccc3c21.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c1ccc1c(-c3ccc(-c4cnc5ccccc5c4)cc3)nc3ccccc3c21.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c1ccc1c(-c3ccc(-c4ncc5ccccc5n4)cc3)nc3ccccc3c21.

What is the InChIKey of 14-[4-(1,6-naphthyridin-2-yl)phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];14-(4-quinazolin-2-ylphenyl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];14-(4-quinolin-3-ylphenyl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];14-(4-quinolin-6-ylphenyl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];2-[4-(4-spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]-14-ylphenyl)phenyl]-1,3-benzothiazole?

The InChIKey is HQAOGVJKLGNKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N2S.2C47H28N2.2C46H27N3/c1-5-15-40-35(11-1)36-12-2-6-16-41(36)51(40)42-17-7-3-13-37(42)48-43(51)30-29-39-47(48)38-14-4-8-18-44(38)52-49(39)33-25-21-31(22-26-33)32-23-27-34(28-24-32)50-53-45-19-9-10-20-46(45)54-50;1-9-19-42-31(11-1)27-32(28-48-42)29-21-23-30(24-22-29)46-37-25-26-41-45(44(37)36-15-5-10-20-43(36)49-46)35-14-4-8-18-40(35)47(41)38-16-6-2-12-33(38)34-13-3-7-17-39(34)47;1-5-15-38-33(11-1)34-12-2-6-16-39(34)47(38)40-17-7-3-13-35(40)45-41(47)25-24-37-44(45)36-14-4-8-18-43(36)49-46(37)30-21-19-29(20-22-30)31-23-26-42-32(28-31)10-9-27-48-42;1-9-19-40-30(11-1)27-47-45(49-40)29-23-21-28(22-24-29)44-35-25-26-39-43(42(35)34-15-5-10-20-41(34)48-44)33-14-4-8-18-38(33)46(39)36-16-6-2-12-31(36)32-13-3-7-17-37(32)46;1-5-13-36-31(9-1)32-10-2-6-14-37(32)46(36)38-15-7-3-11-33(38)44-39(46)23-22-35-43(44)34-12-4-8-16-42(34)49-45(35)29-19-17-28(18-20-29)40-24-21-30-27-47-26-25-41(30)48-40/h1-30H;2*1-28H;2*1-27H.

What are the key properties of 14-[4-(1,6-naphthyridin-2-yl)phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];14-(4-quinazolin-2-ylphenyl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];14-(4-quinolin-3-ylphenyl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];14-(4-quinolin-6-ylphenyl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];2-[4-(4-spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]-14-ylphenyl)phenyl]-1,3-benzothiazole?

14-[4-(1,6-naphthyridin-2-yl)phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];14-(4-quinazolin-2-ylphenyl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];14-(4-quinolin-3-ylphenyl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];14-(4-quinolin-6-ylphenyl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];2-[4-(4-spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]-14-ylphenyl)phenyl]-1,3-benzothiazole has a molecular weight of 3187.88 g/mol, XLogP of 58.59, 11 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 14-[4-(1,6-naphthyridin-2-yl)phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];14-(4-quinazolin-2-ylphenyl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];14-(4-quinolin-3-ylphenyl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];14-(4-quinolin-6-ylphenyl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];2-[4-(4-spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]-14-ylphenyl)phenyl]-1,3-benzothiazole is sourced from PubChem (CID 158553786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).