4-[[4-(8-phenyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10,12,14-hexaen-7-yl)phenyl]methyl]morpholine

C31H29N3O — CID 135060170

IUPAC4-[[4-(8-phenyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10,12,14-hexaen-7-yl)phenyl]methyl]morpholine
SMILESc1ccc(-c2c(-c3ccc(CN4CCOCC4)cc3)nc3c4c2c2ccccc2n4CCC3)cc1
InChIInChI=1S/C31H29N3O/c1-2-7-23(8-3-1)28-29-25-9-4-5-11-27(25)34-16-6-10-26(31(29)34)32-30(28)24-14-12-22(13-15-24)21-33-17-19-35-20-18-33/h1-5,7-9,11-15H,6,10,16-21H2
InChIKeyKINNTQHBXUPJEI-UHFFFAOYSA-N
MW459.59 g/mol
LogP6.30
Rot. Bonds4

About 4-[[4-(8-phenyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10,12,14-hexaen-7-yl)phenyl]methyl]morpholine

4-[[4-(8-phenyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10,12,14-hexaen-7-yl)phenyl]methyl]morpholine (PubChem CID 135060170) has the molecular formula C31H29N3O and a molecular weight of 459.59 g/mol. Its IUPAC name is 4-[[4-(8-phenyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10,12,14-hexaen-7-yl)phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-(8-phenyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10,12,14-hexaen-7-yl)phenyl]methyl]morpholine
PubChem CID135060170
Molecular FormulaC31H29N3O
Molecular Weight459.59 g/mol
Exact Mass459.23
IUPAC Name4-[[4-(8-phenyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10,12,14-hexaen-7-yl)phenyl]methyl]morpholine
SMILESc1ccc(-c2c(-c3ccc(CN4CCOCC4)cc3)nc3c4c2c2ccccc2n4CCC3)cc1
InChIInChI=1S/C31H29N3O/c1-2-7-23(8-3-1)28-29-25-9-4-5-11-27(25)34-16-6-10-26(31(29)34)32-30(28)24-14-12-22(13-15-24)21-33-17-19-35-20-18-33/h1-5,7-9,11-15H,6,10,16-21H2
InChIKeyKINNTQHBXUPJEI-UHFFFAOYSA-N
XLogP6.30
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.59
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[[4-(8-phenyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10,12,14-hexaen-7-yl)phenyl]methyl]morpholine with MolForge

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Related Compounds

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4-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]morpholine
CID 44588214
2-amino-8-(morpholin-4-ylmethyl)-4-phenylindeno[1,2-d]pyrimidin-5-one
CID 54760221
1-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]-5-phenyl-1,3-thiazol-4-yl]phenyl]cyclobutan-1-amine
CID 53495791
2-(morpholin-4-ylmethyl)-3-phenylquinoline-4-carboxamide
CID 131964415
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenyl-1,2,4-thiadiazol-5-amine
CID 86875113
N-[4-(morpholin-4-ylmethyl)phenyl]-2-naphthalen-2-ylquinolin-4-amine
CID 100970631
2-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]-6-phenylpyrimidin-4-amine
CID 108773218
4-[4-(morpholin-4-ylmethyl)phenyl]phenol
CID 39226445
4-[[4-(4-fluorophenyl)phenyl]methyl]morpholine
CID 11161574
4-[3-(8,12,20-triazapentacyclo[11.7.1.02,7.08,21.014,19]henicosa-1(20),2,4,6,13(21),14,16,18-octaen-12-yl)propyl]morpholine
CID 154667498
(4-benzylmorpholin-2-yl)methanol;4-benzyl-1,4-oxazepane
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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(8-phenyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10,12,14-hexaen-7-yl)phenyl]methyl]morpholine?
The IUPAC name of 4-[[4-(8-phenyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10,12,14-hexaen-7-yl)phenyl]methyl]morpholine (CID 135060170) is 4-[[4-(8-phenyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10,12,14-hexaen-7-yl)phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[4-(8-phenyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10,12,14-hexaen-7-yl)phenyl]methyl]morpholine?
The canonical SMILES for 4-[[4-(8-phenyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10,12,14-hexaen-7-yl)phenyl]methyl]morpholine is c1ccc(-c2c(-c3ccc(CN4CCOCC4)cc3)nc3c4c2c2ccccc2n4CCC3)cc1.
What is the InChIKey of 4-[[4-(8-phenyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10,12,14-hexaen-7-yl)phenyl]methyl]morpholine?
The InChIKey is KINNTQHBXUPJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29N3O/c1-2-7-23(8-3-1)28-29-25-9-4-5-11-27(25)34-16-6-10-26(31(29)34)32-30(28)24-14-12-22(13-15-24)21-33-17-19-35-20-18-33/h1-5,7-9,11-15H,6,10,16-21H2.
What are the key properties of 4-[[4-(8-phenyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10,12,14-hexaen-7-yl)phenyl]methyl]morpholine?
4-[[4-(8-phenyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10,12,14-hexaen-7-yl)phenyl]methyl]morpholine has a molecular weight of 459.59 g/mol, XLogP of 6.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(8-phenyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10,12,14-hexaen-7-yl)phenyl]methyl]morpholine is sourced from PubChem (CID 135060170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).