1-[(2R)-1,2,3,3-tetramethyl-2H-indol-5-yl]-N-[4-[1-[4-[[(2R)-1,2,3,3-tetramethyl-2H-indol-5-yl]methylideneamino]phenyl]cyclohexyl]phenyl]methanimine

C44H52N4 — CID 98393962

IUPAC1-[(2R)-1,2,3,3-tetramethyl-2H-indol-5-yl]-N-[4-[1-[4-[[(2R)-1,2,3,3-tetramethyl-2H-indol-5-yl]methylideneamino]phenyl]cyclohexyl]phenyl]methanimine
SMILESC[C@H]1N(C)c2ccc(/C=N/c3ccc(C4(c5ccc(/N=C/c6ccc7c(c6)C(C)(C)[C@@H](C)N7C)cc5)CCCCC4)cc3)cc2C1(C)C
InChIInChI=1S/C44H52N4/c1-30-42(3,4)38-26-32(12-22-40(38)47(30)7)28-45-36-18-14-34(15-19-36)44(24-10-9-11-25-44)35-16-20-37(21-17-35)46-29-33-13-23-41-39(27-33)43(5,6)31(2)48(41)8/h12-23,26-31H,9-11,24-25H2,1-8H3/b45-28+,46-29+/t30-,31-/m1/s1
InChIKeyVOKLOUMOMZRSIM-BWVRTWODSA-N
MW636.93 g/mol
LogP10.67
Rot. Bonds6

About 1-[(2R)-1,2,3,3-tetramethyl-2H-indol-5-yl]-N-[4-[1-[4-[[(2R)-1,2,3,3-tetramethyl-2H-indol-5-yl]methylideneamino]phenyl]cyclohexyl]phenyl]methanimine

1-[(2R)-1,2,3,3-tetramethyl-2H-indol-5-yl]-N-[4-[1-[4-[[(2R)-1,2,3,3-tetramethyl-2H-indol-5-yl]methylideneamino]phenyl]cyclohexyl]phenyl]methanimine (PubChem CID 98393962) has the molecular formula C44H52N4 and a molecular weight of 636.93 g/mol. Its IUPAC name is 1-[(2R)-1,2,3,3-tetramethyl-2H-indol-5-yl]-N-[4-[1-[4-[[(2R)-1,2,3,3-tetramethyl-2H-indol-5-yl]methylideneamino]phenyl]cyclohexyl]phenyl]methanimine.

Molecular Properties

Compound Name1-[(2R)-1,2,3,3-tetramethyl-2H-indol-5-yl]-N-[4-[1-[4-[[(2R)-1,2,3,3-tetramethyl-2H-indol-5-yl]methylideneamino]phenyl]cyclohexyl]phenyl]methanimine
PubChem CID98393962
Molecular FormulaC44H52N4
Molecular Weight636.93 g/mol
Exact Mass636.42
IUPAC Name1-[(2R)-1,2,3,3-tetramethyl-2H-indol-5-yl]-N-[4-[1-[4-[[(2R)-1,2,3,3-tetramethyl-2H-indol-5-yl]methylideneamino]phenyl]cyclohexyl]phenyl]methanimine
SMILESC[C@H]1N(C)c2ccc(/C=N/c3ccc(C4(c5ccc(/N=C/c6ccc7c(c6)C(C)(C)[C@@H](C)N7C)cc5)CCCCC4)cc3)cc2C1(C)C
InChIInChI=1S/C44H52N4/c1-30-42(3,4)38-26-32(12-22-40(38)47(30)7)28-45-36-18-14-34(15-19-36)44(24-10-9-11-25-44)35-16-20-37(21-17-35)46-29-33-13-23-41-39(27-33)43(5,6)31(2)48(41)8/h12-23,26-31H,9-11,24-25H2,1-8H3/b45-28+,46-29+/t30-,31-/m1/s1
InChIKeyVOKLOUMOMZRSIM-BWVRTWODSA-N
XLogP10.67
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.93
LogP ≤ 510.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[(2R)-1,2,3,3-tetramethyl-2H-indol-5-yl]-N-[4-[1-[4-[[(2R)-1,2,3,3-tetramethyl-2H-indol-5-yl]methylideneamino]phenyl]cyclohexyl]phenyl]methanimine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1,2,3,3-tetramethyl-2H-indol-5-yl]-N-[4-[1-[4-[[(2R)-1,2,3,3-tetramethyl-2H-indol-5-yl]methylideneamino]phenyl]cyclohexyl]phenyl]methanimine?
The IUPAC name of 1-[(2R)-1,2,3,3-tetramethyl-2H-indol-5-yl]-N-[4-[1-[4-[[(2R)-1,2,3,3-tetramethyl-2H-indol-5-yl]methylideneamino]phenyl]cyclohexyl]phenyl]methanimine (CID 98393962) is 1-[(2R)-1,2,3,3-tetramethyl-2H-indol-5-yl]-N-[4-[1-[4-[[(2R)-1,2,3,3-tetramethyl-2H-indol-5-yl]methylideneamino]phenyl]cyclohexyl]phenyl]methanimine.
What is the SMILES notation for 1-[(2R)-1,2,3,3-tetramethyl-2H-indol-5-yl]-N-[4-[1-[4-[[(2R)-1,2,3,3-tetramethyl-2H-indol-5-yl]methylideneamino]phenyl]cyclohexyl]phenyl]methanimine?
The canonical SMILES for 1-[(2R)-1,2,3,3-tetramethyl-2H-indol-5-yl]-N-[4-[1-[4-[[(2R)-1,2,3,3-tetramethyl-2H-indol-5-yl]methylideneamino]phenyl]cyclohexyl]phenyl]methanimine is C[C@H]1N(C)c2ccc(/C=N/c3ccc(C4(c5ccc(/N=C/c6ccc7c(c6)C(C)(C)[C@@H](C)N7C)cc5)CCCCC4)cc3)cc2C1(C)C.
What is the InChIKey of 1-[(2R)-1,2,3,3-tetramethyl-2H-indol-5-yl]-N-[4-[1-[4-[[(2R)-1,2,3,3-tetramethyl-2H-indol-5-yl]methylideneamino]phenyl]cyclohexyl]phenyl]methanimine?
The InChIKey is VOKLOUMOMZRSIM-BWVRTWODSA-N. The full InChI is InChI=1S/C44H52N4/c1-30-42(3,4)38-26-32(12-22-40(38)47(30)7)28-45-36-18-14-34(15-19-36)44(24-10-9-11-25-44)35-16-20-37(21-17-35)46-29-33-13-23-41-39(27-33)43(5,6)31(2)48(41)8/h12-23,26-31H,9-11,24-25H2,1-8H3/b45-28+,46-29+/t30-,31-/m1/s1.
What are the key properties of 1-[(2R)-1,2,3,3-tetramethyl-2H-indol-5-yl]-N-[4-[1-[4-[[(2R)-1,2,3,3-tetramethyl-2H-indol-5-yl]methylideneamino]phenyl]cyclohexyl]phenyl]methanimine?
1-[(2R)-1,2,3,3-tetramethyl-2H-indol-5-yl]-N-[4-[1-[4-[[(2R)-1,2,3,3-tetramethyl-2H-indol-5-yl]methylideneamino]phenyl]cyclohexyl]phenyl]methanimine has a molecular weight of 636.93 g/mol, XLogP of 10.67, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1,2,3,3-tetramethyl-2H-indol-5-yl]-N-[4-[1-[4-[[(2R)-1,2,3,3-tetramethyl-2H-indol-5-yl]methylideneamino]phenyl]cyclohexyl]phenyl]methanimine is sourced from PubChem (CID 98393962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).