9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[5-chloro-4-(6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[4-(1,3-dimethylindazol-6-yl)-5-fluoro-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;bis(5-[5-chloro-4-(6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-9-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one);9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-(1,3-dimethylindazol-6-yl)-5-fluoro-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one

C152H111Cl10F8N35O5 — CID 167575319

About 9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[5-chloro-4-(6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[4-(1,3-dimethylindazol-6-yl)-5-fluoro-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;bis(5-[5-chloro-4-(6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-9-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one);9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-(1,3-dimethylindazol-6-yl)-5-fluoro-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one

9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[5-chloro-4-(6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[4-(1,3-dimethylindazol-6-yl)-5-fluoro-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;bis(5-[5-chloro-4-(6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-9-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one);9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-(1,3-dimethylindazol-6-yl)-5-fluoro-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one (PubChem CID 167575319) has the molecular formula C152H111Cl10F8N35O5 and a molecular weight of 3014.31 g/mol. Its IUPAC name is 9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[5-chloro-4-(6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[4-(1,3-dimethylindazol-6-yl)-5-fluoro-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;bis(5-[5-chloro-4-(6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-9-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one);9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-(1,3-dimethylindazol-6-yl)-5-fluoro-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one.

Molecular Properties

• Compound Name: 9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[5-chloro-4-(6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[4-(1,3-dimethylindazol-6-yl)-5-fluoro-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;bis(5-[5-chloro-4-(6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-9-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one);9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-(1,3-dimethylindazol-6-yl)-5-fluoro-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one
• PubChem CID: 167575319
• Molecular Formula: C152H111Cl10F8N35O5
• Molecular Weight: 3014.31 g/mol
• Exact Mass: 3007.63
• IUPAC Name: 9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[5-chloro-4-(6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[4-(1,3-dimethylindazol-6-yl)-5-fluoro-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;bis(5-[5-chloro-4-(6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-9-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one);9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-(1,3-dimethylindazol-6-yl)-5-fluoro-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one
• SMILES: C=C1CCc2cc(C3=C(Cl)N=C(C4C5CC5c5nc(-c6cc(Cl)ccc6-n6cc(C(F)(F)F)nn6)cc(=O)n54)C3)ccc2C1.C=C1CCc2cc(C3=C(Cl)N=C(C4C5CC5c5nc(-c6cc(Cl)ccc6-n6cc(C(F)(F)F)nn6)cc(=O)n54)C3)ccc2C1.C=C1CCc2cc(C3=C(Cl)N=C(C4C5CC5c5nc(-c6cc(Cl)ccc6-n6cc(Cl)nn6)cc(=O)n54)C3)ccc2C1.Cc1nn(C)c2cc(C3=C(F)N=C(C4C5CC5c5nc(-c6cc(Cl)ccc6-n6cc(Cl)nn6)cc(=O)n54)C3)ccc12.Cc1nn(C)c2cc(C3=C(F)N=C(C4C5CC5c5nc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)C3)ccc12
• InChI: InChI=1S/2C32H23Cl2F3N6O.C31H23Cl3N6O.C29H21Cl2FN8O.C28H21ClFN9O/c2*1-15-2-3-17-9-18(5-4-16(17)8-15)20-12-25(38-30(20)34)29-21-11-22(21)31-39-24(13-28(44)43(29)31)23-10-19(33)6-7-26(23)42-14-27(40-41-42)32(35,36)37;1-15-2-3-17-9-18(5-4-16(17)8-15)20-12-25(35-30(20)34)29-21-11-22(21)31-36-24(13-28(41)40(29)31)23-10-19(32)6-7-26(23)39-14-27(33)37-38-39;1-13-16-5-3-14(7-24(16)38(2)36-13)17-10-22(33-28(17)32)27-18-9-19(18)29-34-21(11-26(41)40(27)29)20-8-15(30)4-6-23(20)39-12-25(31)35-37-39;1-13-16-5-3-14(7-24(16)37(2)34-13)17-10-22(32-27(17)30)26-18-9-19(18)28-33-21(11-25(40)39(26)28)20-8-15(29)4-6-23(20)38-12-31-35-36-38/h2*4-7,9-10,13-14,21-22,29H,1-3,8,11-12H2;4-7,9-10,13-14,21-22,29H,1-3,8,11-12H2;3-8,11-12,18-19,27H,9-10H2,1-2H3;3-8,11-12,18-19,26H,9-10H2,1-2H3
• InChIKey: GLGVHQFXACZSPB-UHFFFAOYSA-N
• XLogP: 32.00
• TPSA: 438.33 Ų
• H-Bond Acceptors: 40
• Rotatable Bonds: 20
• Heavy Atoms: 210
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3014.31
LogP ≤ 5	32.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[5-chloro-4-(6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[4-(1,3-dimethylindazol-6-yl)-5-fluoro-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;bis(5-[5-chloro-4-(6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-9-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one);9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-(1,3-dimethylindazol-6-yl)-5-fluoro-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one?

The IUPAC name of 9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[5-chloro-4-(6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[4-(1,3-dimethylindazol-6-yl)-5-fluoro-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;bis(5-[5-chloro-4-(6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-9-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one);9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-(1,3-dimethylindazol-6-yl)-5-fluoro-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one (CID 167575319) is 9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[5-chloro-4-(6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[4-(1,3-dimethylindazol-6-yl)-5-fluoro-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;bis(5-[5-chloro-4-(6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-9-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one);9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-(1,3-dimethylindazol-6-yl)-5-fluoro-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one.

What is the SMILES notation for 9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[5-chloro-4-(6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[4-(1,3-dimethylindazol-6-yl)-5-fluoro-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;bis(5-[5-chloro-4-(6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-9-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one);9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-(1,3-dimethylindazol-6-yl)-5-fluoro-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one?

The canonical SMILES for 9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[5-chloro-4-(6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[4-(1,3-dimethylindazol-6-yl)-5-fluoro-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;bis(5-[5-chloro-4-(6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-9-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one);9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-(1,3-dimethylindazol-6-yl)-5-fluoro-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one is C=C1CCc2cc(C3=C(Cl)N=C(C4C5CC5c5nc(-c6cc(Cl)ccc6-n6cc(C(F)(F)F)nn6)cc(=O)n54)C3)ccc2C1.C=C1CCc2cc(C3=C(Cl)N=C(C4C5CC5c5nc(-c6cc(Cl)ccc6-n6cc(C(F)(F)F)nn6)cc(=O)n54)C3)ccc2C1.C=C1CCc2cc(C3=C(Cl)N=C(C4C5CC5c5nc(-c6cc(Cl)ccc6-n6cc(Cl)nn6)cc(=O)n54)C3)ccc2C1.Cc1nn(C)c2cc(C3=C(F)N=C(C4C5CC5c5nc(-c6cc(Cl)ccc6-n6cc(Cl)nn6)cc(=O)n54)C3)ccc12.Cc1nn(C)c2cc(C3=C(F)N=C(C4C5CC5c5nc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)C3)ccc12.

What is the InChIKey of 9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[5-chloro-4-(6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[4-(1,3-dimethylindazol-6-yl)-5-fluoro-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;bis(5-[5-chloro-4-(6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-9-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one);9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-(1,3-dimethylindazol-6-yl)-5-fluoro-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one?

The InChIKey is GLGVHQFXACZSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C32H23Cl2F3N6O.C31H23Cl3N6O.C29H21Cl2FN8O.C28H21ClFN9O/c2*1-15-2-3-17-9-18(5-4-16(17)8-15)20-12-25(38-30(20)34)29-21-11-22(21)31-39-24(13-28(44)43(29)31)23-10-19(33)6-7-26(23)42-14-27(40-41-42)32(35,36)37;1-15-2-3-17-9-18(5-4-16(17)8-15)20-12-25(35-30(20)34)29-21-11-22(21)31-36-24(13-28(41)40(29)31)23-10-19(32)6-7-26(23)39-14-27(33)37-38-39;1-13-16-5-3-14(7-24(16)38(2)36-13)17-10-22(33-28(17)32)27-18-9-19(18)29-34-21(11-26(41)40(27)29)20-8-15(30)4-6-23(20)39-12-25(31)35-37-39;1-13-16-5-3-14(7-24(16)37(2)34-13)17-10-22(32-27(17)30)26-18-9-19(18)28-33-21(11-25(40)39(26)28)20-8-15(29)4-6-23(20)38-12-31-35-36-38/h2*4-7,9-10,13-14,21-22,29H,1-3,8,11-12H2;4-7,9-10,13-14,21-22,29H,1-3,8,11-12H2;3-8,11-12,18-19,27H,9-10H2,1-2H3;3-8,11-12,18-19,26H,9-10H2,1-2H3.

What are the key properties of 9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[5-chloro-4-(6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[4-(1,3-dimethylindazol-6-yl)-5-fluoro-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;bis(5-[5-chloro-4-(6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-9-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one);9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-(1,3-dimethylindazol-6-yl)-5-fluoro-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one?

9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[5-chloro-4-(6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[4-(1,3-dimethylindazol-6-yl)-5-fluoro-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;bis(5-[5-chloro-4-(6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-9-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one);9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-(1,3-dimethylindazol-6-yl)-5-fluoro-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one has a molecular weight of 3014.31 g/mol, XLogP of 32.00, 20 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[5-chloro-4-(6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[4-(1,3-dimethylindazol-6-yl)-5-fluoro-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;bis(5-[5-chloro-4-(6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)-3H-pyrrol-2-yl]-9-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one);9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-(1,3-dimethylindazol-6-yl)-5-fluoro-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one is sourced from PubChem (CID 167575319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).