tert-butyl 2-(2-chloro-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-11-yl)piperidine-1-carboxylate;tert-butyl 2-(2-pyrrolidin-1-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-11-yl)piperidine-1-carboxylate;4-chloro-5-methylquinazoline;cyclopentane;dichloromethane;11-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-2-pyrrolidin-1-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene;oxolane;11-piperidin-2-yl-2-pyrrolidin-1-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene;tris[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphane

C106H165Cl4N23O5P22 — CID 159376154

About tert-butyl 2-(2-chloro-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-11-yl)piperidine-1-carboxylate;tert-butyl 2-(2-pyrrolidin-1-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-11-yl)piperidine-1-carboxylate;4-chloro-5-methylquinazoline;cyclopentane;dichloromethane;11-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-2-pyrrolidin-1-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene;oxolane;11-piperidin-2-yl-2-pyrrolidin-1-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene;tris[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphane

tert-butyl 2-(2-chloro-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-11-yl)piperidine-1-carboxylate;tert-butyl 2-(2-pyrrolidin-1-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-11-yl)piperidine-1-carboxylate;4-chloro-5-methylquinazoline;cyclopentane;dichloromethane;11-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-2-pyrrolidin-1-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene;oxolane;11-piperidin-2-yl-2-pyrrolidin-1-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene;tris[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphane (PubChem CID 159376154) has the molecular formula C106H165Cl4N23O5P22 and a molecular weight of 2664.88 g/mol. Its IUPAC name is tert-butyl 2-(2-chloro-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-11-yl)piperidine-1-carboxylate;tert-butyl 2-(2-pyrrolidin-1-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-11-yl)piperidine-1-carboxylate;4-chloro-5-methylquinazoline;cyclopentane;dichloromethane;11-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-2-pyrrolidin-1-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene;oxolane;11-piperidin-2-yl-2-pyrrolidin-1-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene;tris[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphane.

Molecular Properties

• Compound Name: tert-butyl 2-(2-chloro-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-11-yl)piperidine-1-carboxylate;tert-butyl 2-(2-pyrrolidin-1-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-11-yl)piperidine-1-carboxylate;4-chloro-5-methylquinazoline;cyclopentane;dichloromethane;11-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-2-pyrrolidin-1-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene;oxolane;11-piperidin-2-yl-2-pyrrolidin-1-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene;tris[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphane
• PubChem CID: 159376154
• Molecular Formula: C106H165Cl4N23O5P22
• Molecular Weight: 2664.88 g/mol
• Exact Mass: 2661.63
• IUPAC Name: tert-butyl 2-(2-chloro-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-11-yl)piperidine-1-carboxylate;tert-butyl 2-(2-pyrrolidin-1-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-11-yl)piperidine-1-carboxylate;4-chloro-5-methylquinazoline;cyclopentane;dichloromethane;11-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-2-pyrrolidin-1-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene;oxolane;11-piperidin-2-yl-2-pyrrolidin-1-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene;tris[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphane
• SMILES: C1CCCC1.C1CCOC1.CC(C)(C)OC(=O)N1CCCCC1c1cc2nc3c(c(Cl)n2n1)CCC3.CC(C)(C)OC(=O)N1CCCCC1c1cc2nc3c(c(N4CCCC4)n2n1)CCC3.Cc1cccc2ncnc(Cl)c12.Cc1cccc2ncnc(N3CCCCC3c3cc4nc5c(c(N6CCCC6)n4n3)CCC5)c12.ClCCl.PP(P)P(P(P)P)P(P(P(P)P)P(P)P)P(P(P)P)P(P)P.c1c(C2CCCCN2)nn2c(N3CCCC3)c3c(nc12)CCC3
• InChI: InChI=1S/C27H31N7.C23H33N5O2.C19H25ClN4O2.C18H25N5.C9H7ClN2.C5H10.C4H8O.CH2Cl2.H24P22/c1-18-8-6-11-21-25(18)26(29-17-28-21)33-15-3-2-12-23(33)22-16-24-30-20-10-7-9-19(20)27(34(24)31-22)32-13-4-5-14-32;1-23(2,3)30-22(29)27-14-5-4-11-19(27)18-15-20-24-17-10-8-9-16(17)21(28(20)25-18)26-12-6-7-13-26;1-19(2,3)26-18(25)23-10-5-4-9-15(23)14-11-16-21-13-8-6-7-12(13)17(20)24(16)22-14;1-2-9-19-15(7-1)16-12-17-20-14-8-5-6-13(14)18(23(17)21-16)22-10-3-4-11-22;1-6-3-2-4-7-8(6)9(10)12-5-11-7;2*1-2-4-5-3-1;2-1-3;1-13(2)19(14(3)4)22(20(15(5)6)16(7)8)21(17(9)10)18(11)12/h6,8,11,16-17,23H,2-5,7,9-10,12-15H2,1H3;15,19H,4-14H2,1-3H3;11,15H,4-10H2,1-3H3;12,15,19H,1-11H2;2-5H,1H3;1-5H2;1-4H2;1H2;1-12H2
• InChIKey: LKIMRQGEHWQPSJ-UHFFFAOYSA-N
• XLogP: 35.33
• TPSA: 265.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 26
• Rotatable Bonds: 17
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2664.88
LogP ≤ 5	35.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-chloro-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-11-yl)piperidine-1-carboxylate;tert-butyl 2-(2-pyrrolidin-1-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-11-yl)piperidine-1-carboxylate;4-chloro-5-methylquinazoline;cyclopentane;dichloromethane;11-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-2-pyrrolidin-1-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene;oxolane;11-piperidin-2-yl-2-pyrrolidin-1-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene;tris[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphane?

The IUPAC name of tert-butyl 2-(2-chloro-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-11-yl)piperidine-1-carboxylate;tert-butyl 2-(2-pyrrolidin-1-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-11-yl)piperidine-1-carboxylate;4-chloro-5-methylquinazoline;cyclopentane;dichloromethane;11-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-2-pyrrolidin-1-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene;oxolane;11-piperidin-2-yl-2-pyrrolidin-1-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene;tris[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphane (CID 159376154) is tert-butyl 2-(2-chloro-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-11-yl)piperidine-1-carboxylate;tert-butyl 2-(2-pyrrolidin-1-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-11-yl)piperidine-1-carboxylate;4-chloro-5-methylquinazoline;cyclopentane;dichloromethane;11-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-2-pyrrolidin-1-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene;oxolane;11-piperidin-2-yl-2-pyrrolidin-1-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene;tris[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphane.

What is the SMILES notation for tert-butyl 2-(2-chloro-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-11-yl)piperidine-1-carboxylate;tert-butyl 2-(2-pyrrolidin-1-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-11-yl)piperidine-1-carboxylate;4-chloro-5-methylquinazoline;cyclopentane;dichloromethane;11-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-2-pyrrolidin-1-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene;oxolane;11-piperidin-2-yl-2-pyrrolidin-1-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene;tris[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphane?

The canonical SMILES for tert-butyl 2-(2-chloro-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-11-yl)piperidine-1-carboxylate;tert-butyl 2-(2-pyrrolidin-1-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-11-yl)piperidine-1-carboxylate;4-chloro-5-methylquinazoline;cyclopentane;dichloromethane;11-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-2-pyrrolidin-1-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene;oxolane;11-piperidin-2-yl-2-pyrrolidin-1-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene;tris[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphane is C1CCCC1.C1CCOC1.CC(C)(C)OC(=O)N1CCCCC1c1cc2nc3c(c(Cl)n2n1)CCC3.CC(C)(C)OC(=O)N1CCCCC1c1cc2nc3c(c(N4CCCC4)n2n1)CCC3.Cc1cccc2ncnc(Cl)c12.Cc1cccc2ncnc(N3CCCCC3c3cc4nc5c(c(N6CCCC6)n4n3)CCC5)c12.ClCCl.PP(P)P(P(P)P)P(P(P(P)P)P(P)P)P(P(P)P)P(P)P.c1c(C2CCCCN2)nn2c(N3CCCC3)c3c(nc12)CCC3.

What is the InChIKey of tert-butyl 2-(2-chloro-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-11-yl)piperidine-1-carboxylate;tert-butyl 2-(2-pyrrolidin-1-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-11-yl)piperidine-1-carboxylate;4-chloro-5-methylquinazoline;cyclopentane;dichloromethane;11-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-2-pyrrolidin-1-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene;oxolane;11-piperidin-2-yl-2-pyrrolidin-1-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene;tris[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphane?

The InChIKey is LKIMRQGEHWQPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N7.C23H33N5O2.C19H25ClN4O2.C18H25N5.C9H7ClN2.C5H10.C4H8O.CH2Cl2.H24P22/c1-18-8-6-11-21-25(18)26(29-17-28-21)33-15-3-2-12-23(33)22-16-24-30-20-10-7-9-19(20)27(34(24)31-22)32-13-4-5-14-32;1-23(2,3)30-22(29)27-14-5-4-11-19(27)18-15-20-24-17-10-8-9-16(17)21(28(20)25-18)26-12-6-7-13-26;1-19(2,3)26-18(25)23-10-5-4-9-15(23)14-11-16-21-13-8-6-7-12(13)17(20)24(16)22-14;1-2-9-19-15(7-1)16-12-17-20-14-8-5-6-13(14)18(23(17)21-16)22-10-3-4-11-22;1-6-3-2-4-7-8(6)9(10)12-5-11-7;2*1-2-4-5-3-1;2-1-3;1-13(2)19(14(3)4)22(20(15(5)6)16(7)8)21(17(9)10)18(11)12/h6,8,11,16-17,23H,2-5,7,9-10,12-15H2,1H3;15,19H,4-14H2,1-3H3;11,15H,4-10H2,1-3H3;12,15,19H,1-11H2;2-5H,1H3;1-5H2;1-4H2;1H2;1-12H2.

What are the key properties of tert-butyl 2-(2-chloro-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-11-yl)piperidine-1-carboxylate;tert-butyl 2-(2-pyrrolidin-1-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-11-yl)piperidine-1-carboxylate;4-chloro-5-methylquinazoline;cyclopentane;dichloromethane;11-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-2-pyrrolidin-1-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene;oxolane;11-piperidin-2-yl-2-pyrrolidin-1-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene;tris[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphane?

tert-butyl 2-(2-chloro-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-11-yl)piperidine-1-carboxylate;tert-butyl 2-(2-pyrrolidin-1-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-11-yl)piperidine-1-carboxylate;4-chloro-5-methylquinazoline;cyclopentane;dichloromethane;11-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-2-pyrrolidin-1-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene;oxolane;11-piperidin-2-yl-2-pyrrolidin-1-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene;tris[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphane has a molecular weight of 2664.88 g/mol, XLogP of 35.33, 17 rotatable bonds, 1 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-(2-chloro-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-11-yl)piperidine-1-carboxylate;tert-butyl 2-(2-pyrrolidin-1-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-11-yl)piperidine-1-carboxylate;4-chloro-5-methylquinazoline;cyclopentane;dichloromethane;11-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-2-pyrrolidin-1-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene;oxolane;11-piperidin-2-yl-2-pyrrolidin-1-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene;tris[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphane is sourced from PubChem (CID 159376154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).