3-tert-butyl-4-(1-tert-butyl-2,3-dihydrophosphindol-7-yl)-1,2-dihydro-1,3-benzazaphosphole;3-tert-butyl-4-(3-tert-butyl-1-phenyl-2H-1,3-benzazaphosphol-4-yl)-1-phenyl-2H-1,3-benzazaphosphole;3-tert-butyl-4-(3-tert-butyl-1-propanoyl-2H-1,3-benzazaphosphol-4-yl)-N-phenyl-2H-1,3-benzazaphosphole-1-carboxamide;(1R)-1-tert-butyl-7-methoxy-2,3-dihydrophosphindole;(2S,3R)-3-tert-butyl-4-methoxy-1-phenyl-2-[[2,4,6-tri(propan-2-yl)phenyl]methyl]-2H-1,3-benzazaphosphole

C136H173N7O4P8 — CID 161421358

About 3-tert-butyl-4-(1-tert-butyl-2,3-dihydrophosphindol-7-yl)-1,2-dihydro-1,3-benzazaphosphole;3-tert-butyl-4-(3-tert-butyl-1-phenyl-2H-1,3-benzazaphosphol-4-yl)-1-phenyl-2H-1,3-benzazaphosphole;3-tert-butyl-4-(3-tert-butyl-1-propanoyl-2H-1,3-benzazaphosphol-4-yl)-N-phenyl-2H-1,3-benzazaphosphole-1-carboxamide;(1R)-1-tert-butyl-7-methoxy-2,3-dihydrophosphindole;(2S,3R)-3-tert-butyl-4-methoxy-1-phenyl-2-[[2,4,6-tri(propan-2-yl)phenyl]methyl]-2H-1,3-benzazaphosphole

3-tert-butyl-4-(1-tert-butyl-2,3-dihydrophosphindol-7-yl)-1,2-dihydro-1,3-benzazaphosphole;3-tert-butyl-4-(3-tert-butyl-1-phenyl-2H-1,3-benzazaphosphol-4-yl)-1-phenyl-2H-1,3-benzazaphosphole;3-tert-butyl-4-(3-tert-butyl-1-propanoyl-2H-1,3-benzazaphosphol-4-yl)-N-phenyl-2H-1,3-benzazaphosphole-1-carboxamide;(1R)-1-tert-butyl-7-methoxy-2,3-dihydrophosphindole;(2S,3R)-3-tert-butyl-4-methoxy-1-phenyl-2-[[2,4,6-tri(propan-2-yl)phenyl]methyl]-2H-1,3-benzazaphosphole (PubChem CID 161421358) has the molecular formula C136H173N7O4P8 and a molecular weight of 2217.72 g/mol. Its IUPAC name is 3-tert-butyl-4-(1-tert-butyl-2,3-dihydrophosphindol-7-yl)-1,2-dihydro-1,3-benzazaphosphole;3-tert-butyl-4-(3-tert-butyl-1-phenyl-2H-1,3-benzazaphosphol-4-yl)-1-phenyl-2H-1,3-benzazaphosphole;3-tert-butyl-4-(3-tert-butyl-1-propanoyl-2H-1,3-benzazaphosphol-4-yl)-N-phenyl-2H-1,3-benzazaphosphole-1-carboxamide;(1R)-1-tert-butyl-7-methoxy-2,3-dihydrophosphindole;(2S,3R)-3-tert-butyl-4-methoxy-1-phenyl-2-[[2,4,6-tri(propan-2-yl)phenyl]methyl]-2H-1,3-benzazaphosphole.

Molecular Properties

• Compound Name: 3-tert-butyl-4-(1-tert-butyl-2,3-dihydrophosphindol-7-yl)-1,2-dihydro-1,3-benzazaphosphole;3-tert-butyl-4-(3-tert-butyl-1-phenyl-2H-1,3-benzazaphosphol-4-yl)-1-phenyl-2H-1,3-benzazaphosphole;3-tert-butyl-4-(3-tert-butyl-1-propanoyl-2H-1,3-benzazaphosphol-4-yl)-N-phenyl-2H-1,3-benzazaphosphole-1-carboxamide;(1R)-1-tert-butyl-7-methoxy-2,3-dihydrophosphindole;(2S,3R)-3-tert-butyl-4-methoxy-1-phenyl-2-[[2,4,6-tri(propan-2-yl)phenyl]methyl]-2H-1,3-benzazaphosphole
• PubChem CID: 161421358
• Molecular Formula: C136H173N7O4P8
• Molecular Weight: 2217.72 g/mol
• Exact Mass: 2216.15
• IUPAC Name: 3-tert-butyl-4-(1-tert-butyl-2,3-dihydrophosphindol-7-yl)-1,2-dihydro-1,3-benzazaphosphole;3-tert-butyl-4-(3-tert-butyl-1-phenyl-2H-1,3-benzazaphosphol-4-yl)-1-phenyl-2H-1,3-benzazaphosphole;3-tert-butyl-4-(3-tert-butyl-1-propanoyl-2H-1,3-benzazaphosphol-4-yl)-N-phenyl-2H-1,3-benzazaphosphole-1-carboxamide;(1R)-1-tert-butyl-7-methoxy-2,3-dihydrophosphindole;(2S,3R)-3-tert-butyl-4-methoxy-1-phenyl-2-[[2,4,6-tri(propan-2-yl)phenyl]methyl]-2H-1,3-benzazaphosphole
• SMILES: CC(C)(C)P1CCc2cccc(-c3cccc4c3P(C(C)(C)C)CN4)c21.CC(C)(C)P1CN(c2ccccc2)c2cccc(-c3cccc4c3P(C(C)(C)C)CN4c3ccccc3)c21.CCC(=O)N1CP(C(C)(C)C)c2c(-c3cccc4c3P(C(C)(C)C)CN4C(=O)Nc3ccccc3)cccc21.COc1cccc2c1[P@@](C(C)(C)C)CC2.COc1cccc2c1[P@@](C(C)(C)C)[C@@H](Cc1c(C(C)C)cc(C(C)C)cc1C(C)C)N2c1ccccc1
• InChI: InChI=1S/C34H38N2P2.C34H46NOP.C32H39N3O2P2.C23H31NP2.C13H19OP/c1-33(2,3)37-23-35(25-15-9-7-10-16-25)29-21-13-19-27(31(29)37)28-20-14-22-30-32(28)38(34(4,5)6)24-36(30)26-17-11-8-12-18-26;1-22(2)25-19-27(23(3)4)29(28(20-25)24(5)6)21-32-35(26-15-12-11-13-16-26)30-17-14-18-31(36-10)33(30)37(32)34(7,8)9;1-8-27(36)34-20-38(31(2,3)4)28-23(16-12-18-25(28)34)24-17-13-19-26-29(24)39(32(5,6)7)21-35(26)30(37)33-22-14-10-9-11-15-22;1-22(2,3)25-14-13-16-9-7-10-17(20(16)25)18-11-8-12-19-21(18)26(15-24-19)23(4,5)6;1-13(2,3)15-9-8-10-6-5-7-11(14-4)12(10)15/h7-22H,23-24H2,1-6H3;11-20,22-24,32H,21H2,1-10H3;9-19H,8,20-21H2,1-7H3,(H,33,37);7-12,24H,13-15H2,1-6H3;5-7H,8-9H2,1-4H3/t;32-,37-;;;15-/m.0..0/s1
• InChIKey: VWTXTFKKNDCIHF-QPBCHOKLSA-N
• XLogP: 36.22
• TPSA: 92.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 15
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2217.72
LogP ≤ 5	36.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4-(1-tert-butyl-2,3-dihydrophosphindol-7-yl)-1,2-dihydro-1,3-benzazaphosphole;3-tert-butyl-4-(3-tert-butyl-1-phenyl-2H-1,3-benzazaphosphol-4-yl)-1-phenyl-2H-1,3-benzazaphosphole;3-tert-butyl-4-(3-tert-butyl-1-propanoyl-2H-1,3-benzazaphosphol-4-yl)-N-phenyl-2H-1,3-benzazaphosphole-1-carboxamide;(1R)-1-tert-butyl-7-methoxy-2,3-dihydrophosphindole;(2S,3R)-3-tert-butyl-4-methoxy-1-phenyl-2-[[2,4,6-tri(propan-2-yl)phenyl]methyl]-2H-1,3-benzazaphosphole?

The IUPAC name of 3-tert-butyl-4-(1-tert-butyl-2,3-dihydrophosphindol-7-yl)-1,2-dihydro-1,3-benzazaphosphole;3-tert-butyl-4-(3-tert-butyl-1-phenyl-2H-1,3-benzazaphosphol-4-yl)-1-phenyl-2H-1,3-benzazaphosphole;3-tert-butyl-4-(3-tert-butyl-1-propanoyl-2H-1,3-benzazaphosphol-4-yl)-N-phenyl-2H-1,3-benzazaphosphole-1-carboxamide;(1R)-1-tert-butyl-7-methoxy-2,3-dihydrophosphindole;(2S,3R)-3-tert-butyl-4-methoxy-1-phenyl-2-[[2,4,6-tri(propan-2-yl)phenyl]methyl]-2H-1,3-benzazaphosphole (CID 161421358) is 3-tert-butyl-4-(1-tert-butyl-2,3-dihydrophosphindol-7-yl)-1,2-dihydro-1,3-benzazaphosphole;3-tert-butyl-4-(3-tert-butyl-1-phenyl-2H-1,3-benzazaphosphol-4-yl)-1-phenyl-2H-1,3-benzazaphosphole;3-tert-butyl-4-(3-tert-butyl-1-propanoyl-2H-1,3-benzazaphosphol-4-yl)-N-phenyl-2H-1,3-benzazaphosphole-1-carboxamide;(1R)-1-tert-butyl-7-methoxy-2,3-dihydrophosphindole;(2S,3R)-3-tert-butyl-4-methoxy-1-phenyl-2-[[2,4,6-tri(propan-2-yl)phenyl]methyl]-2H-1,3-benzazaphosphole.

What is the SMILES notation for 3-tert-butyl-4-(1-tert-butyl-2,3-dihydrophosphindol-7-yl)-1,2-dihydro-1,3-benzazaphosphole;3-tert-butyl-4-(3-tert-butyl-1-phenyl-2H-1,3-benzazaphosphol-4-yl)-1-phenyl-2H-1,3-benzazaphosphole;3-tert-butyl-4-(3-tert-butyl-1-propanoyl-2H-1,3-benzazaphosphol-4-yl)-N-phenyl-2H-1,3-benzazaphosphole-1-carboxamide;(1R)-1-tert-butyl-7-methoxy-2,3-dihydrophosphindole;(2S,3R)-3-tert-butyl-4-methoxy-1-phenyl-2-[[2,4,6-tri(propan-2-yl)phenyl]methyl]-2H-1,3-benzazaphosphole?

The canonical SMILES for 3-tert-butyl-4-(1-tert-butyl-2,3-dihydrophosphindol-7-yl)-1,2-dihydro-1,3-benzazaphosphole;3-tert-butyl-4-(3-tert-butyl-1-phenyl-2H-1,3-benzazaphosphol-4-yl)-1-phenyl-2H-1,3-benzazaphosphole;3-tert-butyl-4-(3-tert-butyl-1-propanoyl-2H-1,3-benzazaphosphol-4-yl)-N-phenyl-2H-1,3-benzazaphosphole-1-carboxamide;(1R)-1-tert-butyl-7-methoxy-2,3-dihydrophosphindole;(2S,3R)-3-tert-butyl-4-methoxy-1-phenyl-2-[[2,4,6-tri(propan-2-yl)phenyl]methyl]-2H-1,3-benzazaphosphole is CC(C)(C)P1CCc2cccc(-c3cccc4c3P(C(C)(C)C)CN4)c21.CC(C)(C)P1CN(c2ccccc2)c2cccc(-c3cccc4c3P(C(C)(C)C)CN4c3ccccc3)c21.CCC(=O)N1CP(C(C)(C)C)c2c(-c3cccc4c3P(C(C)(C)C)CN4C(=O)Nc3ccccc3)cccc21.COc1cccc2c1[P@@](C(C)(C)C)CC2.COc1cccc2c1[P@@](C(C)(C)C)[C@@H](Cc1c(C(C)C)cc(C(C)C)cc1C(C)C)N2c1ccccc1.

What is the InChIKey of 3-tert-butyl-4-(1-tert-butyl-2,3-dihydrophosphindol-7-yl)-1,2-dihydro-1,3-benzazaphosphole;3-tert-butyl-4-(3-tert-butyl-1-phenyl-2H-1,3-benzazaphosphol-4-yl)-1-phenyl-2H-1,3-benzazaphosphole;3-tert-butyl-4-(3-tert-butyl-1-propanoyl-2H-1,3-benzazaphosphol-4-yl)-N-phenyl-2H-1,3-benzazaphosphole-1-carboxamide;(1R)-1-tert-butyl-7-methoxy-2,3-dihydrophosphindole;(2S,3R)-3-tert-butyl-4-methoxy-1-phenyl-2-[[2,4,6-tri(propan-2-yl)phenyl]methyl]-2H-1,3-benzazaphosphole?

The InChIKey is VWTXTFKKNDCIHF-QPBCHOKLSA-N. The full InChI is InChI=1S/C34H38N2P2.C34H46NOP.C32H39N3O2P2.C23H31NP2.C13H19OP/c1-33(2,3)37-23-35(25-15-9-7-10-16-25)29-21-13-19-27(31(29)37)28-20-14-22-30-32(28)38(34(4,5)6)24-36(30)26-17-11-8-12-18-26;1-22(2)25-19-27(23(3)4)29(28(20-25)24(5)6)21-32-35(26-15-12-11-13-16-26)30-17-14-18-31(36-10)33(30)37(32)34(7,8)9;1-8-27(36)34-20-38(31(2,3)4)28-23(16-12-18-25(28)34)24-17-13-19-26-29(24)39(32(5,6)7)21-35(26)30(37)33-22-14-10-9-11-15-22;1-22(2,3)25-14-13-16-9-7-10-17(20(16)25)18-11-8-12-19-21(18)26(15-24-19)23(4,5)6;1-13(2,3)15-9-8-10-6-5-7-11(14-4)12(10)15/h7-22H,23-24H2,1-6H3;11-20,22-24,32H,21H2,1-10H3;9-19H,8,20-21H2,1-7H3,(H,33,37);7-12,24H,13-15H2,1-6H3;5-7H,8-9H2,1-4H3/t;32-,37-;;;15-/m.0..0/s1.

What are the key properties of 3-tert-butyl-4-(1-tert-butyl-2,3-dihydrophosphindol-7-yl)-1,2-dihydro-1,3-benzazaphosphole;3-tert-butyl-4-(3-tert-butyl-1-phenyl-2H-1,3-benzazaphosphol-4-yl)-1-phenyl-2H-1,3-benzazaphosphole;3-tert-butyl-4-(3-tert-butyl-1-propanoyl-2H-1,3-benzazaphosphol-4-yl)-N-phenyl-2H-1,3-benzazaphosphole-1-carboxamide;(1R)-1-tert-butyl-7-methoxy-2,3-dihydrophosphindole;(2S,3R)-3-tert-butyl-4-methoxy-1-phenyl-2-[[2,4,6-tri(propan-2-yl)phenyl]methyl]-2H-1,3-benzazaphosphole?

3-tert-butyl-4-(1-tert-butyl-2,3-dihydrophosphindol-7-yl)-1,2-dihydro-1,3-benzazaphosphole;3-tert-butyl-4-(3-tert-butyl-1-phenyl-2H-1,3-benzazaphosphol-4-yl)-1-phenyl-2H-1,3-benzazaphosphole;3-tert-butyl-4-(3-tert-butyl-1-propanoyl-2H-1,3-benzazaphosphol-4-yl)-N-phenyl-2H-1,3-benzazaphosphole-1-carboxamide;(1R)-1-tert-butyl-7-methoxy-2,3-dihydrophosphindole;(2S,3R)-3-tert-butyl-4-methoxy-1-phenyl-2-[[2,4,6-tri(propan-2-yl)phenyl]methyl]-2H-1,3-benzazaphosphole has a molecular weight of 2217.72 g/mol, XLogP of 36.22, 15 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-tert-butyl-4-(1-tert-butyl-2,3-dihydrophosphindol-7-yl)-1,2-dihydro-1,3-benzazaphosphole;3-tert-butyl-4-(3-tert-butyl-1-phenyl-2H-1,3-benzazaphosphol-4-yl)-1-phenyl-2H-1,3-benzazaphosphole;3-tert-butyl-4-(3-tert-butyl-1-propanoyl-2H-1,3-benzazaphosphol-4-yl)-N-phenyl-2H-1,3-benzazaphosphole-1-carboxamide;(1R)-1-tert-butyl-7-methoxy-2,3-dihydrophosphindole;(2S,3R)-3-tert-butyl-4-methoxy-1-phenyl-2-[[2,4,6-tri(propan-2-yl)phenyl]methyl]-2H-1,3-benzazaphosphole is sourced from PubChem (CID 161421358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).