[1-[2-bis(4-methylphenyl)phosphanylphenyl]pyrrol-2-yl]-bis(4-methylphenyl)phosphane

C38H35NP2 — CID 21056937

IUPAC[1-[2-bis(4-methylphenyl)phosphanylphenyl]pyrrol-2-yl]-bis(4-methylphenyl)phosphane
SMILESCc1ccc(P(c2ccc(C)cc2)c2ccccc2-n2cccc2P(c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C38H35NP2/c1-28-11-19-32(20-12-28)40(33-21-13-29(2)14-22-33)37-9-6-5-8-36(37)39-27-7-10-38(39)41(34-23-15-30(3)16-24-34)35-25-17-31(4)18-26-35/h5-27H,1-4H3
InChIKeyIUBCHMDAVTTYQZ-UHFFFAOYSA-N
MW567.65 g/mol
LogP7.23
Rot. Bonds7

About [1-[2-bis(4-methylphenyl)phosphanylphenyl]pyrrol-2-yl]-bis(4-methylphenyl)phosphane

[1-[2-bis(4-methylphenyl)phosphanylphenyl]pyrrol-2-yl]-bis(4-methylphenyl)phosphane (PubChem CID 21056937) has the molecular formula C38H35NP2 and a molecular weight of 567.65 g/mol. Its IUPAC name is [1-[2-bis(4-methylphenyl)phosphanylphenyl]pyrrol-2-yl]-bis(4-methylphenyl)phosphane.

Molecular Properties

Compound Name[1-[2-bis(4-methylphenyl)phosphanylphenyl]pyrrol-2-yl]-bis(4-methylphenyl)phosphane
PubChem CID21056937
Molecular FormulaC38H35NP2
Molecular Weight567.65 g/mol
Exact Mass567.22
IUPAC Name[1-[2-bis(4-methylphenyl)phosphanylphenyl]pyrrol-2-yl]-bis(4-methylphenyl)phosphane
SMILESCc1ccc(P(c2ccc(C)cc2)c2ccccc2-n2cccc2P(c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C38H35NP2/c1-28-11-19-32(20-12-28)40(33-21-13-29(2)14-22-33)37-9-6-5-8-36(37)39-27-7-10-38(39)41(34-23-15-30(3)16-24-34)35-25-17-31(4)18-26-35/h5-27H,1-4H3
InChIKeyIUBCHMDAVTTYQZ-UHFFFAOYSA-N
XLogP7.23
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.65
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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(4-methylphenyl)phosphanylphenyl]pyrrol-2-yl]-bis(4-methylphenyl)phosphane?
The IUPAC name of [1-[2-bis(4-methylphenyl)phosphanylphenyl]pyrrol-2-yl]-bis(4-methylphenyl)phosphane (CID 21056937) is [1-[2-bis(4-methylphenyl)phosphanylphenyl]pyrrol-2-yl]-bis(4-methylphenyl)phosphane.
What is the SMILES notation for [1-[2-bis(4-methylphenyl)phosphanylphenyl]pyrrol-2-yl]-bis(4-methylphenyl)phosphane?
The canonical SMILES for [1-[2-bis(4-methylphenyl)phosphanylphenyl]pyrrol-2-yl]-bis(4-methylphenyl)phosphane is Cc1ccc(P(c2ccc(C)cc2)c2ccccc2-n2cccc2P(c2ccc(C)cc2)c2ccc(C)cc2)cc1.
What is the InChIKey of [1-[2-bis(4-methylphenyl)phosphanylphenyl]pyrrol-2-yl]-bis(4-methylphenyl)phosphane?
The InChIKey is IUBCHMDAVTTYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H35NP2/c1-28-11-19-32(20-12-28)40(33-21-13-29(2)14-22-33)37-9-6-5-8-36(37)39-27-7-10-38(39)41(34-23-15-30(3)16-24-34)35-25-17-31(4)18-26-35/h5-27H,1-4H3.
What are the key properties of [1-[2-bis(4-methylphenyl)phosphanylphenyl]pyrrol-2-yl]-bis(4-methylphenyl)phosphane?
[1-[2-bis(4-methylphenyl)phosphanylphenyl]pyrrol-2-yl]-bis(4-methylphenyl)phosphane has a molecular weight of 567.65 g/mol, XLogP of 7.23, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-bis(4-methylphenyl)phosphanylphenyl]pyrrol-2-yl]-bis(4-methylphenyl)phosphane is sourced from PubChem (CID 21056937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).