6-cyclohexyl-N-[(3Z)-penta-1,3-dien-3-yl]-N-[4-(2-phosphanylpropan-2-yl)phenyl]dibenzofuran-4-amine

C32H36NOP — CID 144918672

IUPAC6-cyclohexyl-N-[(3Z)-penta-1,3-dien-3-yl]-N-[4-(2-phosphanylpropan-2-yl)phenyl]dibenzofuran-4-amine
SMILESC=C/C(=C/C)N(c1ccc(C(C)(C)P)cc1)c1cccc2c1oc1c(C3CCCCC3)cccc12
InChIInChI=1S/C32H36NOP/c1-5-24(6-2)33(25-20-18-23(19-21-25)32(3,4)35)29-17-11-16-28-27-15-10-14-26(30(27)34-31(28)29)22-12-8-7-9-13-22/h5-6,10-11,14-22H,1,7-9,12-13,35H2,2-4H3/b24-6-
InChIKeyHCAGXZGGTXGGJH-UMDHDWCXSA-N
MW481.62 g/mol
LogP9.97
Rot. Bonds6

About 6-cyclohexyl-N-[(3Z)-penta-1,3-dien-3-yl]-N-[4-(2-phosphanylpropan-2-yl)phenyl]dibenzofuran-4-amine

6-cyclohexyl-N-[(3Z)-penta-1,3-dien-3-yl]-N-[4-(2-phosphanylpropan-2-yl)phenyl]dibenzofuran-4-amine (PubChem CID 144918672) has the molecular formula C32H36NOP and a molecular weight of 481.62 g/mol. Its IUPAC name is 6-cyclohexyl-N-[(3Z)-penta-1,3-dien-3-yl]-N-[4-(2-phosphanylpropan-2-yl)phenyl]dibenzofuran-4-amine.

Molecular Properties

Compound Name6-cyclohexyl-N-[(3Z)-penta-1,3-dien-3-yl]-N-[4-(2-phosphanylpropan-2-yl)phenyl]dibenzofuran-4-amine
PubChem CID144918672
Molecular FormulaC32H36NOP
Molecular Weight481.62 g/mol
Exact Mass481.25
IUPAC Name6-cyclohexyl-N-[(3Z)-penta-1,3-dien-3-yl]-N-[4-(2-phosphanylpropan-2-yl)phenyl]dibenzofuran-4-amine
SMILESC=C/C(=C/C)N(c1ccc(C(C)(C)P)cc1)c1cccc2c1oc1c(C3CCCCC3)cccc12
InChIInChI=1S/C32H36NOP/c1-5-24(6-2)33(25-20-18-23(19-21-25)32(3,4)35)29-17-11-16-28-27-15-10-14-26(30(27)34-31(28)29)22-12-8-7-9-13-22/h5-6,10-11,14-22H,1,7-9,12-13,35H2,2-4H3/b24-6-
InChIKeyHCAGXZGGTXGGJH-UMDHDWCXSA-N
XLogP9.97
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.62
LogP ≤ 59.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-cyclohexyl-N-iodo-N-(4-methylphenyl)dibenzofuran-4-amine
CID 166813401
6-cyclopentyl-N-methyl-N-phenyldibenzofuran-4-amine
CID 138456793
6-cyclohexyl-N-(2-fluorophenyl)-N-methyldibenzofuran-4-amine
CID 134527994
4-[(6-cyclopentyldibenzofuran-4-yl)-methylamino]benzonitrile
CID 138456777
6-cyclohexyl-N-methyl-N-(2-propan-2-ylphenyl)dibenzofuran-4-amine
CID 134527995
6-tert-butyl-N-(2-cyclohexylphenyl)-N-methyldibenzofuran-4-amine
CID 134527983
1-N,6-N-bis(6-cyclohexyldibenzofuran-4-yl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;ethane
CID 144918646
1-N-(4-tert-butylphenyl)-1-N,6-N-bis(6-cyclopentyldibenzofuran-4-yl)-6-N-[4-(1-methylcyclobutyl)phenyl]pyrene-1,6-diamine
CID 126699108
6-cyclohexyl-N-(2,4-dimethylphenyl)-N-methyldibenzofuran-4-amine
CID 138651898
4-N,20-N-bis(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine
CID 90263193
1-N,6-N-bis(6-tert-butyldibenzofuran-4-yl)-6-N-[4-[2-[4-[(6-tert-butyldibenzofuran-4-yl)-[6-(N-(6-tert-butyldibenzofuran-4-yl)-2-methylanilino)pyren-1-yl]amino]phenyl]propan-2-yl]phenyl]-1-N-(2-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(6-cyclohexyldibenzofuran-4-yl)-1-N-[4-[2-[4-[(6-cyclohexyldibenzofuran-4-yl)-[6-(N-(6-cyclohexyldibenzofuran-4-yl)anilino)pyren-1-yl]amino]phenyl]propan-2-yl]phenyl]-6-N-phenylpyrene-1,6-diamine
CID 162104018
9-N,15-N-bis(6-cyclohexyldibenzofuran-4-yl)-9-N,15-N-bis(4-fluorophenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 90263304

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-N-[(3Z)-penta-1,3-dien-3-yl]-N-[4-(2-phosphanylpropan-2-yl)phenyl]dibenzofuran-4-amine?
The IUPAC name of 6-cyclohexyl-N-[(3Z)-penta-1,3-dien-3-yl]-N-[4-(2-phosphanylpropan-2-yl)phenyl]dibenzofuran-4-amine (CID 144918672) is 6-cyclohexyl-N-[(3Z)-penta-1,3-dien-3-yl]-N-[4-(2-phosphanylpropan-2-yl)phenyl]dibenzofuran-4-amine.
What is the SMILES notation for 6-cyclohexyl-N-[(3Z)-penta-1,3-dien-3-yl]-N-[4-(2-phosphanylpropan-2-yl)phenyl]dibenzofuran-4-amine?
The canonical SMILES for 6-cyclohexyl-N-[(3Z)-penta-1,3-dien-3-yl]-N-[4-(2-phosphanylpropan-2-yl)phenyl]dibenzofuran-4-amine is C=C/C(=C/C)N(c1ccc(C(C)(C)P)cc1)c1cccc2c1oc1c(C3CCCCC3)cccc12.
What is the InChIKey of 6-cyclohexyl-N-[(3Z)-penta-1,3-dien-3-yl]-N-[4-(2-phosphanylpropan-2-yl)phenyl]dibenzofuran-4-amine?
The InChIKey is HCAGXZGGTXGGJH-UMDHDWCXSA-N. The full InChI is InChI=1S/C32H36NOP/c1-5-24(6-2)33(25-20-18-23(19-21-25)32(3,4)35)29-17-11-16-28-27-15-10-14-26(30(27)34-31(28)29)22-12-8-7-9-13-22/h5-6,10-11,14-22H,1,7-9,12-13,35H2,2-4H3/b24-6-.
What are the key properties of 6-cyclohexyl-N-[(3Z)-penta-1,3-dien-3-yl]-N-[4-(2-phosphanylpropan-2-yl)phenyl]dibenzofuran-4-amine?
6-cyclohexyl-N-[(3Z)-penta-1,3-dien-3-yl]-N-[4-(2-phosphanylpropan-2-yl)phenyl]dibenzofuran-4-amine has a molecular weight of 481.62 g/mol, XLogP of 9.97, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-N-[(3Z)-penta-1,3-dien-3-yl]-N-[4-(2-phosphanylpropan-2-yl)phenyl]dibenzofuran-4-amine is sourced from PubChem (CID 144918672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).