1-[3-[[2-bis[3,5-bis[[(1S)-1-cyclohexylethyl]iminomethyl]phenyl]phosphanylphenyl]-[3,5-bis[[(1S)-1-cyclohexylethyl]iminomethyl]phenyl]phosphanyl]-5-[[(1S)-1-cyclohexylethyl]iminomethyl]phenyl]-N-[(1S)-1-cyclohexylethyl]methanimine

C102H144N8P2 — CID 100926646

IUPAC1-[3-[[2-bis[3,5-bis[[(1S)-1-cyclohexylethyl]iminomethyl]phenyl]phosphanylphenyl]-[3,5-bis[[(1S)-1-cyclohexylethyl]iminomethyl]phenyl]phosphanyl]-5-[[(1S)-1-cyclohexylethyl]iminomethyl]phenyl]-N-[(1S)-1-cyclohexylethyl]methanimine
SMILESC[C@H](/N=C\c1cc(/C=N/[C@@H](C)C2CCCCC2)cc(P(c2cc(/C=N\[C@@H](C)C3CCCCC3)cc(/C=N/[C@@H](C)C3CCCCC3)c2)c2ccccc2P(c2cc(/C=N\[C@@H](C)C3CCCCC3)cc(/C=N/[C@@H](C)C3CCCCC3)c2)c2cc(/C=N/[C@@H](C)C3CCCCC3)cc(/C=N/[C@@H](C)C3CCCCC3)c2)c1)C1CCCCC1
InChIInChI=1S/C102H144N8P2/c1-73(89-35-17-9-18-36-89)103-65-81-53-82(66-104-74(2)90-37-19-10-20-38-90)58-97(57-81)111(98-59-83(67-105-75(3)91-39-21-11-22-40-91)54-84(60-98)68-106-76(4)92-41-23-12-24-42-92)101-51-33-34-52-102(101)112(99-61-85(69-107-77(5)93-43-25-13-26-44-93)55-86(62-99)70-108-78(6)94-45-27-14-28-46-94)100-63-87(71-109-79(7)95-47-29-15-30-48-95)56-88(64-100)72-110-80(8)96-49-31-16-32-50-96/h33-34,51-80,89-96H,9-32,35-50H2,1-8H3/b103-65-,104-66+,105-67-,106-68+,107-69-,108-70+,109-71+,110-72+/t73-,74-,75-,76-,77-,78-,79-,80-,112?/m0/s1
InChIKeySEPGEQRTNANSCS-KIFFFDMXSA-N
MW1544.28 g/mol
LogP24.30
Rot. Bonds30

About 1-[3-[[2-bis[3,5-bis[[(1S)-1-cyclohexylethyl]iminomethyl]phenyl]phosphanylphenyl]-[3,5-bis[[(1S)-1-cyclohexylethyl]iminomethyl]phenyl]phosphanyl]-5-[[(1S)-1-cyclohexylethyl]iminomethyl]phenyl]-N-[(1S)-1-cyclohexylethyl]methanimine

1-[3-[[2-bis[3,5-bis[[(1S)-1-cyclohexylethyl]iminomethyl]phenyl]phosphanylphenyl]-[3,5-bis[[(1S)-1-cyclohexylethyl]iminomethyl]phenyl]phosphanyl]-5-[[(1S)-1-cyclohexylethyl]iminomethyl]phenyl]-N-[(1S)-1-cyclohexylethyl]methanimine (PubChem CID 100926646) has the molecular formula C102H144N8P2 and a molecular weight of 1544.28 g/mol. Its IUPAC name is 1-[3-[[2-bis[3,5-bis[[(1S)-1-cyclohexylethyl]iminomethyl]phenyl]phosphanylphenyl]-[3,5-bis[[(1S)-1-cyclohexylethyl]iminomethyl]phenyl]phosphanyl]-5-[[(1S)-1-cyclohexylethyl]iminomethyl]phenyl]-N-[(1S)-1-cyclohexylethyl]methanimine.

Molecular Properties

Compound Name1-[3-[[2-bis[3,5-bis[[(1S)-1-cyclohexylethyl]iminomethyl]phenyl]phosphanylphenyl]-[3,5-bis[[(1S)-1-cyclohexylethyl]iminomethyl]phenyl]phosphanyl]-5-[[(1S)-1-cyclohexylethyl]iminomethyl]phenyl]-N-[(1S)-1-cyclohexylethyl]methanimine
PubChem CID100926646
Molecular FormulaC102H144N8P2
Molecular Weight1544.28 g/mol
Exact Mass1543.10
IUPAC Name1-[3-[[2-bis[3,5-bis[[(1S)-1-cyclohexylethyl]iminomethyl]phenyl]phosphanylphenyl]-[3,5-bis[[(1S)-1-cyclohexylethyl]iminomethyl]phenyl]phosphanyl]-5-[[(1S)-1-cyclohexylethyl]iminomethyl]phenyl]-N-[(1S)-1-cyclohexylethyl]methanimine
SMILESC[C@H](/N=C\c1cc(/C=N/[C@@H](C)C2CCCCC2)cc(P(c2cc(/C=N\[C@@H](C)C3CCCCC3)cc(/C=N/[C@@H](C)C3CCCCC3)c2)c2ccccc2P(c2cc(/C=N\[C@@H](C)C3CCCCC3)cc(/C=N/[C@@H](C)C3CCCCC3)c2)c2cc(/C=N/[C@@H](C)C3CCCCC3)cc(/C=N/[C@@H](C)C3CCCCC3)c2)c1)C1CCCCC1
InChIInChI=1S/C102H144N8P2/c1-73(89-35-17-9-18-36-89)103-65-81-53-82(66-104-74(2)90-37-19-10-20-38-90)58-97(57-81)111(98-59-83(67-105-75(3)91-39-21-11-22-40-91)54-84(60-98)68-106-76(4)92-41-23-12-24-42-92)101-51-33-34-52-102(101)112(99-61-85(69-107-77(5)93-43-25-13-26-44-93)55-86(62-99)70-108-78(6)94-45-27-14-28-46-94)100-63-87(71-109-79(7)95-47-29-15-30-48-95)56-88(64-100)72-110-80(8)96-49-31-16-32-50-96/h33-34,51-80,89-96H,9-32,35-50H2,1-8H3/b103-65-,104-66+,105-67-,106-68+,107-69-,108-70+,109-71+,110-72+/t73-,74-,75-,76-,77-,78-,79-,80-,112?/m0/s1
InChIKeySEPGEQRTNANSCS-KIFFFDMXSA-N
XLogP24.30
TPSA98.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds30
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001544.28
LogP ≤ 524.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 1-[3-[[2-bis[3,5-bis[[(1S)-1-cyclohexylethyl]iminomethyl]phenyl]phosphanylphenyl]-[3,5-bis[[(1S)-1-cyclohexylethyl]iminomethyl]phenyl]phosphanyl]-5-[[(1S)-1-cyclohexylethyl]iminomethyl]phenyl]-N-[(1S)-1-cyclohexylethyl]methanimine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[2-bis[3,5-bis[[(1S)-1-cyclohexylethyl]iminomethyl]phenyl]phosphanylphenyl]-[3,5-bis[[(1S)-1-cyclohexylethyl]iminomethyl]phenyl]phosphanyl]-5-[[(1S)-1-cyclohexylethyl]iminomethyl]phenyl]-N-[(1S)-1-cyclohexylethyl]methanimine?
The IUPAC name of 1-[3-[[2-bis[3,5-bis[[(1S)-1-cyclohexylethyl]iminomethyl]phenyl]phosphanylphenyl]-[3,5-bis[[(1S)-1-cyclohexylethyl]iminomethyl]phenyl]phosphanyl]-5-[[(1S)-1-cyclohexylethyl]iminomethyl]phenyl]-N-[(1S)-1-cyclohexylethyl]methanimine (CID 100926646) is 1-[3-[[2-bis[3,5-bis[[(1S)-1-cyclohexylethyl]iminomethyl]phenyl]phosphanylphenyl]-[3,5-bis[[(1S)-1-cyclohexylethyl]iminomethyl]phenyl]phosphanyl]-5-[[(1S)-1-cyclohexylethyl]iminomethyl]phenyl]-N-[(1S)-1-cyclohexylethyl]methanimine.
What is the SMILES notation for 1-[3-[[2-bis[3,5-bis[[(1S)-1-cyclohexylethyl]iminomethyl]phenyl]phosphanylphenyl]-[3,5-bis[[(1S)-1-cyclohexylethyl]iminomethyl]phenyl]phosphanyl]-5-[[(1S)-1-cyclohexylethyl]iminomethyl]phenyl]-N-[(1S)-1-cyclohexylethyl]methanimine?
The canonical SMILES for 1-[3-[[2-bis[3,5-bis[[(1S)-1-cyclohexylethyl]iminomethyl]phenyl]phosphanylphenyl]-[3,5-bis[[(1S)-1-cyclohexylethyl]iminomethyl]phenyl]phosphanyl]-5-[[(1S)-1-cyclohexylethyl]iminomethyl]phenyl]-N-[(1S)-1-cyclohexylethyl]methanimine is C[C@H](/N=C\c1cc(/C=N/[C@@H](C)C2CCCCC2)cc(P(c2cc(/C=N\[C@@H](C)C3CCCCC3)cc(/C=N/[C@@H](C)C3CCCCC3)c2)c2ccccc2P(c2cc(/C=N\[C@@H](C)C3CCCCC3)cc(/C=N/[C@@H](C)C3CCCCC3)c2)c2cc(/C=N/[C@@H](C)C3CCCCC3)cc(/C=N/[C@@H](C)C3CCCCC3)c2)c1)C1CCCCC1.
What is the InChIKey of 1-[3-[[2-bis[3,5-bis[[(1S)-1-cyclohexylethyl]iminomethyl]phenyl]phosphanylphenyl]-[3,5-bis[[(1S)-1-cyclohexylethyl]iminomethyl]phenyl]phosphanyl]-5-[[(1S)-1-cyclohexylethyl]iminomethyl]phenyl]-N-[(1S)-1-cyclohexylethyl]methanimine?
The InChIKey is SEPGEQRTNANSCS-KIFFFDMXSA-N. The full InChI is InChI=1S/C102H144N8P2/c1-73(89-35-17-9-18-36-89)103-65-81-53-82(66-104-74(2)90-37-19-10-20-38-90)58-97(57-81)111(98-59-83(67-105-75(3)91-39-21-11-22-40-91)54-84(60-98)68-106-76(4)92-41-23-12-24-42-92)101-51-33-34-52-102(101)112(99-61-85(69-107-77(5)93-43-25-13-26-44-93)55-86(62-99)70-108-78(6)94-45-27-14-28-46-94)100-63-87(71-109-79(7)95-47-29-15-30-48-95)56-88(64-100)72-110-80(8)96-49-31-16-32-50-96/h33-34,51-80,89-96H,9-32,35-50H2,1-8H3/b103-65-,104-66+,105-67-,106-68+,107-69-,108-70+,109-71+,110-72+/t73-,74-,75-,76-,77-,78-,79-,80-,112?/m0/s1.
What are the key properties of 1-[3-[[2-bis[3,5-bis[[(1S)-1-cyclohexylethyl]iminomethyl]phenyl]phosphanylphenyl]-[3,5-bis[[(1S)-1-cyclohexylethyl]iminomethyl]phenyl]phosphanyl]-5-[[(1S)-1-cyclohexylethyl]iminomethyl]phenyl]-N-[(1S)-1-cyclohexylethyl]methanimine?
1-[3-[[2-bis[3,5-bis[[(1S)-1-cyclohexylethyl]iminomethyl]phenyl]phosphanylphenyl]-[3,5-bis[[(1S)-1-cyclohexylethyl]iminomethyl]phenyl]phosphanyl]-5-[[(1S)-1-cyclohexylethyl]iminomethyl]phenyl]-N-[(1S)-1-cyclohexylethyl]methanimine has a molecular weight of 1544.28 g/mol, XLogP of 24.30, 30 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[2-bis[3,5-bis[[(1S)-1-cyclohexylethyl]iminomethyl]phenyl]phosphanylphenyl]-[3,5-bis[[(1S)-1-cyclohexylethyl]iminomethyl]phenyl]phosphanyl]-5-[[(1S)-1-cyclohexylethyl]iminomethyl]phenyl]-N-[(1S)-1-cyclohexylethyl]methanimine is sourced from PubChem (CID 100926646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).