15-phenyl-26-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),3(11),5,7,12,17,19(27),20,22,24-decaen-10-amine

C30H23N3O — CID 146428729

IUPAC15-phenyl-26-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),3(11),5,7,12,17,19(27),20,22,24-decaen-10-amine
SMILESNN1C2=C(C3C=CC=CC31)C1c3c(ccc4c3oc3ccccc34)N(c3ccccc3)C1C=C2
InChIInChI=1S/C30H23N3O/c31-33-22-12-6-4-11-21(22)27-25(33)17-16-23-28(27)29-24(32(23)18-8-2-1-3-9-18)15-14-20-19-10-5-7-13-26(19)34-30(20)29/h1-17,21-23,28H,31H2
InChIKeyZTOAFNNIWOKMNH-UHFFFAOYSA-N
MW441.53 g/mol
LogP6.31
Rot. Bonds1

About 15-phenyl-26-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),3(11),5,7,12,17,19(27),20,22,24-decaen-10-amine

15-phenyl-26-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),3(11),5,7,12,17,19(27),20,22,24-decaen-10-amine (PubChem CID 146428729) has the molecular formula C30H23N3O and a molecular weight of 441.53 g/mol. Its IUPAC name is 15-phenyl-26-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),3(11),5,7,12,17,19(27),20,22,24-decaen-10-amine.

Molecular Properties

Compound Name15-phenyl-26-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),3(11),5,7,12,17,19(27),20,22,24-decaen-10-amine
PubChem CID146428729
Molecular FormulaC30H23N3O
Molecular Weight441.53 g/mol
Exact Mass441.18
IUPAC Name15-phenyl-26-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),3(11),5,7,12,17,19(27),20,22,24-decaen-10-amine
SMILESNN1C2=C(C3C=CC=CC31)C1c3c(ccc4c3oc3ccccc34)N(c3ccccc3)C1C=C2
InChIInChI=1S/C30H23N3O/c31-33-22-12-6-4-11-21(22)27-25(33)17-16-23-28(27)29-24(32(23)18-8-2-1-3-9-18)15-14-20-19-10-5-7-13-26(19)34-30(20)29/h1-17,21-23,28H,31H2
InChIKeyZTOAFNNIWOKMNH-UHFFFAOYSA-N
XLogP6.31
TPSA45.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.53
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 15-phenyl-26-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),3(11),5,7,12,17,19(27),20,22,24-decaen-10-amine with MolForge

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Related Compounds

5-[4-(6-cyclohexa-2,4-dien-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]-4a,12c-dihydro-[1]benzofuro[3,2-c]carbazole
CID 155238394
24-(6,7-dihydrodibenzofuran-2-yl)-6-(9-phenylcarbazol-3-yl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),19,21,26-undecaene
CID 163597803
2-[2-(4a,12a-dihydro-[1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-6-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
CID 165007567
5-[8-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-9-phenyl-4a,9a-dihydrocarbazole
CID 139342404
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CID 155237382
15,19-diphenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene
CID 126679130
18-(4-phenylphenyl)-15-(4-phenylquinazolin-2-yl)-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),20,22,26-undecaene
CID 163568569
N-[4-(9-naphtho[1,2-b][1]benzofuran-5-yl-4b,8a-dihydrocarbazol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 144554231
6-dibenzofuran-4-yl-9-phenyl-1,5,6,9a-tetrahydrocarbazole;ethane;7-phenyl-7-azabicyclo[4.1.0]hepta-1,3,5-triene
CID 145202831
7-phenyl-5-[3-(5-phenyl-4a,12c-dihydroindolo[3,2-c]carbazol-12-yl)phenyl]indolo[2,3-b]carbazole
CID 170208199
2-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),8,10,17(25),18,20,22,26-undecaen-6-yl)-5-(3,4,5,6-tetrahydrocarbazol-9-yl)benzene-1,4-dicarbonitrile
CID 155237517
9-[5-amino-6-(5-phenyl-[1]benzofuro[2,3-g]carbazol-3-yl)cyclohexa-2,4-dien-1-yl]carbazol-3-amine
CID 126596230

Frequently Asked Questions

What is the IUPAC name of 15-phenyl-26-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),3(11),5,7,12,17,19(27),20,22,24-decaen-10-amine?
The IUPAC name of 15-phenyl-26-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),3(11),5,7,12,17,19(27),20,22,24-decaen-10-amine (CID 146428729) is 15-phenyl-26-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),3(11),5,7,12,17,19(27),20,22,24-decaen-10-amine.
What is the SMILES notation for 15-phenyl-26-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),3(11),5,7,12,17,19(27),20,22,24-decaen-10-amine?
The canonical SMILES for 15-phenyl-26-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),3(11),5,7,12,17,19(27),20,22,24-decaen-10-amine is NN1C2=C(C3C=CC=CC31)C1c3c(ccc4c3oc3ccccc34)N(c3ccccc3)C1C=C2.
What is the InChIKey of 15-phenyl-26-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),3(11),5,7,12,17,19(27),20,22,24-decaen-10-amine?
The InChIKey is ZTOAFNNIWOKMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N3O/c31-33-22-12-6-4-11-21(22)27-25(33)17-16-23-28(27)29-24(32(23)18-8-2-1-3-9-18)15-14-20-19-10-5-7-13-26(19)34-30(20)29/h1-17,21-23,28H,31H2.
What are the key properties of 15-phenyl-26-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),3(11),5,7,12,17,19(27),20,22,24-decaen-10-amine?
15-phenyl-26-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),3(11),5,7,12,17,19(27),20,22,24-decaen-10-amine has a molecular weight of 441.53 g/mol, XLogP of 6.31, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 15-phenyl-26-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),3(11),5,7,12,17,19(27),20,22,24-decaen-10-amine is sourced from PubChem (CID 146428729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).