[1-[2-bis(3-methylindol-1-yl)phosphanyloxynaphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane

C50H38N2OP2 — CID 11527821

IUPAC[1-[2-bis(3-methylindol-1-yl)phosphanyloxynaphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane
SMILESCc1cn(P(Oc2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)n2cc(C)c3ccccc32)c2ccccc12
InChIInChI=1S/C50H38N2OP2/c1-35-33-51(45-27-15-13-23-41(35)45)55(52-34-36(2)42-24-14-16-28-46(42)52)53-47-31-29-37-17-9-11-25-43(37)49(47)50-44-26-12-10-18-38(44)30-32-48(50)54(39-19-5-3-6-20-39)40-21-7-4-8-22-40/h3-34H,1-2H3
InChIKeyLKSWYRQIJCBWDU-UHFFFAOYSA-N
MW744.82 g/mol
LogP12.65
Rot. Bonds8

About [1-[2-bis(3-methylindol-1-yl)phosphanyloxynaphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane

[1-[2-bis(3-methylindol-1-yl)phosphanyloxynaphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane (PubChem CID 11527821) has the molecular formula C50H38N2OP2 and a molecular weight of 744.82 g/mol. Its IUPAC name is [1-[2-bis(3-methylindol-1-yl)phosphanyloxynaphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane.

Molecular Properties

Compound Name[1-[2-bis(3-methylindol-1-yl)phosphanyloxynaphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane
PubChem CID11527821
Molecular FormulaC50H38N2OP2
Molecular Weight744.82 g/mol
Exact Mass744.25
IUPAC Name[1-[2-bis(3-methylindol-1-yl)phosphanyloxynaphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane
SMILESCc1cn(P(Oc2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)n2cc(C)c3ccccc32)c2ccccc12
InChIInChI=1S/C50H38N2OP2/c1-35-33-51(45-27-15-13-23-41(35)45)55(52-34-36(2)42-24-14-16-28-46(42)52)53-47-31-29-37-17-9-11-25-43(37)49(47)50-44-26-12-10-18-38(44)30-32-48(50)54(39-19-5-3-6-20-39)40-21-7-4-8-22-40/h3-34H,1-2H3
InChIKeyLKSWYRQIJCBWDU-UHFFFAOYSA-N
XLogP12.65
TPSA19.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.82
LogP ≤ 512.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-[2-bis(3-methylindol-1-yl)phosphanyloxynaphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane?
The IUPAC name of [1-[2-bis(3-methylindol-1-yl)phosphanyloxynaphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane (CID 11527821) is [1-[2-bis(3-methylindol-1-yl)phosphanyloxynaphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane.
What is the SMILES notation for [1-[2-bis(3-methylindol-1-yl)phosphanyloxynaphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane?
The canonical SMILES for [1-[2-bis(3-methylindol-1-yl)phosphanyloxynaphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane is Cc1cn(P(Oc2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)n2cc(C)c3ccccc32)c2ccccc12.
What is the InChIKey of [1-[2-bis(3-methylindol-1-yl)phosphanyloxynaphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane?
The InChIKey is LKSWYRQIJCBWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H38N2OP2/c1-35-33-51(45-27-15-13-23-41(35)45)55(52-34-36(2)42-24-14-16-28-46(42)52)53-47-31-29-37-17-9-11-25-43(37)49(47)50-44-26-12-10-18-38(44)30-32-48(50)54(39-19-5-3-6-20-39)40-21-7-4-8-22-40/h3-34H,1-2H3.
What are the key properties of [1-[2-bis(3-methylindol-1-yl)phosphanyloxynaphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane?
[1-[2-bis(3-methylindol-1-yl)phosphanyloxynaphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane has a molecular weight of 744.82 g/mol, XLogP of 12.65, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-bis(3-methylindol-1-yl)phosphanyloxynaphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane is sourced from PubChem (CID 11527821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).