2-(4-methyl-2-phenylphenyl)-19-oxa-2-azatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,13,15,17-heptaene

C30H25NO — CID 59573086

IUPAC2-(4-methyl-2-phenylphenyl)-19-oxa-2-azatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,13,15,17-heptaene
SMILESCc1ccc(N2c3ccccc3CCCc3c2oc2ccccc32)c(-c2ccccc2)c1
InChIInChI=1S/C30H25NO/c1-21-18-19-28(26(20-21)22-10-3-2-4-11-22)31-27-16-7-5-12-23(27)13-9-15-25-24-14-6-8-17-29(24)32-30(25)31/h2-8,10-12,14,16-20H,9,13,15H2,1H3
InChIKeyTXFGXCVHFSFZBQ-UHFFFAOYSA-N
MW415.54 g/mol
LogP8.37
Rot. Bonds2

About 2-(4-methyl-2-phenylphenyl)-19-oxa-2-azatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,13,15,17-heptaene

2-(4-methyl-2-phenylphenyl)-19-oxa-2-azatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,13,15,17-heptaene (PubChem CID 59573086) has the molecular formula C30H25NO and a molecular weight of 415.54 g/mol. Its IUPAC name is 2-(4-methyl-2-phenylphenyl)-19-oxa-2-azatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,13,15,17-heptaene.

Molecular Properties

Compound Name2-(4-methyl-2-phenylphenyl)-19-oxa-2-azatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,13,15,17-heptaene
PubChem CID59573086
Molecular FormulaC30H25NO
Molecular Weight415.54 g/mol
Exact Mass415.19
IUPAC Name2-(4-methyl-2-phenylphenyl)-19-oxa-2-azatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,13,15,17-heptaene
SMILESCc1ccc(N2c3ccccc3CCCc3c2oc2ccccc32)c(-c2ccccc2)c1
InChIInChI=1S/C30H25NO/c1-21-18-19-28(26(20-21)22-10-3-2-4-11-22)31-27-16-7-5-12-23(27)13-9-15-25-24-14-6-8-17-29(24)32-30(25)31/h2-8,10-12,14,16-20H,9,13,15H2,1H3
InChIKeyTXFGXCVHFSFZBQ-UHFFFAOYSA-N
XLogP8.37
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.54
LogP ≤ 58.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-phenylphenyl)-19-oxa-2-azatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,13,15,17-heptaene?
The IUPAC name of 2-(4-methyl-2-phenylphenyl)-19-oxa-2-azatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,13,15,17-heptaene (CID 59573086) is 2-(4-methyl-2-phenylphenyl)-19-oxa-2-azatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,13,15,17-heptaene.
What is the SMILES notation for 2-(4-methyl-2-phenylphenyl)-19-oxa-2-azatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,13,15,17-heptaene?
The canonical SMILES for 2-(4-methyl-2-phenylphenyl)-19-oxa-2-azatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,13,15,17-heptaene is Cc1ccc(N2c3ccccc3CCCc3c2oc2ccccc32)c(-c2ccccc2)c1.
What is the InChIKey of 2-(4-methyl-2-phenylphenyl)-19-oxa-2-azatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,13,15,17-heptaene?
The InChIKey is TXFGXCVHFSFZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25NO/c1-21-18-19-28(26(20-21)22-10-3-2-4-11-22)31-27-16-7-5-12-23(27)13-9-15-25-24-14-6-8-17-29(24)32-30(25)31/h2-8,10-12,14,16-20H,9,13,15H2,1H3.
What are the key properties of 2-(4-methyl-2-phenylphenyl)-19-oxa-2-azatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,13,15,17-heptaene?
2-(4-methyl-2-phenylphenyl)-19-oxa-2-azatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,13,15,17-heptaene has a molecular weight of 415.54 g/mol, XLogP of 8.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-phenylphenyl)-19-oxa-2-azatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,13,15,17-heptaene is sourced from PubChem (CID 59573086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).