chloro-di(pyrrol-1-yl)phosphane;[1-[2-di(pyrrol-1-yl)phosphanyloxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy-di(pyrrol-1-yl)phosphane;1-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol

C64H66ClN6O4P3 — CID 159252545

About chloro-di(pyrrol-1-yl)phosphane;[1-[2-di(pyrrol-1-yl)phosphanyloxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy-di(pyrrol-1-yl)phosphane;1-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol

chloro-di(pyrrol-1-yl)phosphane;[1-[2-di(pyrrol-1-yl)phosphanyloxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy-di(pyrrol-1-yl)phosphane;1-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 159252545) has the molecular formula C64H66ClN6O4P3 and a molecular weight of 1111.65 g/mol. Its IUPAC name is chloro-di(pyrrol-1-yl)phosphane;[1-[2-di(pyrrol-1-yl)phosphanyloxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy-di(pyrrol-1-yl)phosphane;1-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

• Compound Name: chloro-di(pyrrol-1-yl)phosphane;[1-[2-di(pyrrol-1-yl)phosphanyloxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy-di(pyrrol-1-yl)phosphane;1-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol
• PubChem CID: 159252545
• Molecular Formula: C64H66ClN6O4P3
• Molecular Weight: 1111.65 g/mol
• Exact Mass: 1110.40
• IUPAC Name: chloro-di(pyrrol-1-yl)phosphane;[1-[2-di(pyrrol-1-yl)phosphanyloxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy-di(pyrrol-1-yl)phosphane;1-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol
• SMILES: ClP(n1cccc1)n1cccc1.Oc1ccc2c(c1-c1c(O)ccc3c1CCCC3)CCCC2.c1ccn(P(Oc2ccc3c(c2-c2c(OP(n4cccc4)n4cccc4)ccc4c2CCCC4)CCCC3)n2cccc2)c1
• InChI: InChI=1S/C36H36N4O2P2.C20H22O2.C8H8ClN2P/c1-3-15-31-29(13-1)17-19-33(41-43(37-21-5-6-22-37)38-23-7-8-24-38)35(31)36-32-16-4-2-14-30(32)18-20-34(36)42-44(39-25-9-10-26-39)40-27-11-12-28-40;21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22;9-12(10-5-1-2-6-10)11-7-3-4-8-11/h5-12,17-28H,1-4,13-16H2;9-12,21-22H,1-8H2;1-8H
• InChIKey: KVMGDBVHVPCRNA-UHFFFAOYSA-N
• XLogP: 17.40
• TPSA: 88.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1111.65
LogP ≤ 5	17.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of chloro-di(pyrrol-1-yl)phosphane;[1-[2-di(pyrrol-1-yl)phosphanyloxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy-di(pyrrol-1-yl)phosphane;1-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol?

The IUPAC name of chloro-di(pyrrol-1-yl)phosphane;[1-[2-di(pyrrol-1-yl)phosphanyloxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy-di(pyrrol-1-yl)phosphane;1-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol (CID 159252545) is chloro-di(pyrrol-1-yl)phosphane;[1-[2-di(pyrrol-1-yl)phosphanyloxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy-di(pyrrol-1-yl)phosphane;1-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol.

What is the SMILES notation for chloro-di(pyrrol-1-yl)phosphane;[1-[2-di(pyrrol-1-yl)phosphanyloxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy-di(pyrrol-1-yl)phosphane;1-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol?

The canonical SMILES for chloro-di(pyrrol-1-yl)phosphane;[1-[2-di(pyrrol-1-yl)phosphanyloxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy-di(pyrrol-1-yl)phosphane;1-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol is ClP(n1cccc1)n1cccc1.Oc1ccc2c(c1-c1c(O)ccc3c1CCCC3)CCCC2.c1ccn(P(Oc2ccc3c(c2-c2c(OP(n4cccc4)n4cccc4)ccc4c2CCCC4)CCCC3)n2cccc2)c1.

What is the InChIKey of chloro-di(pyrrol-1-yl)phosphane;[1-[2-di(pyrrol-1-yl)phosphanyloxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy-di(pyrrol-1-yl)phosphane;1-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol?

The InChIKey is KVMGDBVHVPCRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H36N4O2P2.C20H22O2.C8H8ClN2P/c1-3-15-31-29(13-1)17-19-33(41-43(37-21-5-6-22-37)38-23-7-8-24-38)35(31)36-32-16-4-2-14-30(32)18-20-34(36)42-44(39-25-9-10-26-39)40-27-11-12-28-40;21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22;9-12(10-5-1-2-6-10)11-7-3-4-8-11/h5-12,17-28H,1-4,13-16H2;9-12,21-22H,1-8H2;1-8H.

What are the key properties of chloro-di(pyrrol-1-yl)phosphane;[1-[2-di(pyrrol-1-yl)phosphanyloxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy-di(pyrrol-1-yl)phosphane;1-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol?

chloro-di(pyrrol-1-yl)phosphane;[1-[2-di(pyrrol-1-yl)phosphanyloxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy-di(pyrrol-1-yl)phosphane;1-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 1111.65 g/mol, XLogP of 17.40, 12 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for chloro-di(pyrrol-1-yl)phosphane;[1-[2-di(pyrrol-1-yl)phosphanyloxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy-di(pyrrol-1-yl)phosphane;1-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 159252545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).