10-(4-dibenzofuran-4-ylphenyl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8(13),9,11,15(23),17,19,21-undecaene

C39H23N3O — CID 159318599

IUPAC10-(4-dibenzofuran-4-ylphenyl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8(13),9,11,15(23),17,19,21-undecaene
SMILESc1ccc2c(c1)[nH]c1c2nc2c3ccccc3c3cc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)ccc3n21
InChIInChI=1S/C39H23N3O/c1-2-10-30-27(8-1)32-22-25(20-21-34(32)42-38(30)41-36-31-11-3-5-14-33(31)40-39(36)42)23-16-18-24(19-17-23)26-12-7-13-29-28-9-4-6-15-35(28)43-37(26)29/h1-22,40H
InChIKeyLDLSQGVZHCMMJT-UHFFFAOYSA-N
MW549.63 g/mol
LogP10.51
Rot. Bonds2

About 10-(4-dibenzofuran-4-ylphenyl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8(13),9,11,15(23),17,19,21-undecaene

10-(4-dibenzofuran-4-ylphenyl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8(13),9,11,15(23),17,19,21-undecaene (PubChem CID 159318599) has the molecular formula C39H23N3O and a molecular weight of 549.63 g/mol. Its IUPAC name is 10-(4-dibenzofuran-4-ylphenyl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8(13),9,11,15(23),17,19,21-undecaene.

Molecular Properties

Compound Name10-(4-dibenzofuran-4-ylphenyl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8(13),9,11,15(23),17,19,21-undecaene
PubChem CID159318599
Molecular FormulaC39H23N3O
Molecular Weight549.63 g/mol
Exact Mass549.18
IUPAC Name10-(4-dibenzofuran-4-ylphenyl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8(13),9,11,15(23),17,19,21-undecaene
SMILESc1ccc2c(c1)[nH]c1c2nc2c3ccccc3c3cc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)ccc3n21
InChIInChI=1S/C39H23N3O/c1-2-10-30-27(8-1)32-22-25(20-21-34(32)42-38(30)41-36-31-11-3-5-14-33(31)40-39(36)42)23-16-18-24(19-17-23)26-12-7-13-29-28-9-4-6-15-35(28)43-37(26)29/h1-22,40H
InChIKeyLDLSQGVZHCMMJT-UHFFFAOYSA-N
XLogP10.51
TPSA46.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.63
LogP ≤ 510.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 10-(4-dibenzofuran-4-ylphenyl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8(13),9,11,15(23),17,19,21-undecaene with MolForge

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Related Compounds

3-dibenzofuran-4-yl-6-(4-phenylphenyl)-9H-carbazole
CID 66800210
3-(4-dibenzofuran-4-ylphenyl)-2-phenylimidazo[1,2-f]phenanthridine
CID 170530705
3-(4-dibenzofuran-4-ylphenyl)-11-phenyl-[1,2,4]triazolo[4,3-f]phenanthridine
CID 58068443
16-[4-(4-dibenzofuran-4-ylphenyl)quinazolin-2-yl]-20-[3-[4-[4-[2-[20-[4-[2-(14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaen-16-yl)quinazolin-4-yl]naphthalen-1-yl]-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17(22),18,20-undecaen-16-yl]quinazolin-4-yl]phenyl]phenyl]phenyl]-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17(22),18,20-undecaene
CID 135212454
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-(16-phenyl-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8(13),9,11,15(23),17,19,21-undecaen-10-yl)phenyl]fluoren-4-amine
CID 159260670
N-[4-(9H-carbazol-1-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 58510680
3-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 121262432
4-[4-[6-(4-phenylphenyl)naphthalen-2-yl]phenyl]dibenzofuran
CID 170289932
2-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 168850178
9-[4-(4-bromophenyl)phenyl]-3-(4-dibenzofuran-4-ylphenyl)carbazole
CID 118402480
3-dibenzofuran-2-yl-9-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole
CID 121449444
6-(4-dibenzofuran-4-ylphenyl)-1,1,2,2,3,3-hexamethyl-9H-cyclopenta[b]carbazole
CID 126598409

Frequently Asked Questions

What is the IUPAC name of 10-(4-dibenzofuran-4-ylphenyl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8(13),9,11,15(23),17,19,21-undecaene?
The IUPAC name of 10-(4-dibenzofuran-4-ylphenyl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8(13),9,11,15(23),17,19,21-undecaene (CID 159318599) is 10-(4-dibenzofuran-4-ylphenyl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8(13),9,11,15(23),17,19,21-undecaene.
What is the SMILES notation for 10-(4-dibenzofuran-4-ylphenyl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8(13),9,11,15(23),17,19,21-undecaene?
The canonical SMILES for 10-(4-dibenzofuran-4-ylphenyl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8(13),9,11,15(23),17,19,21-undecaene is c1ccc2c(c1)[nH]c1c2nc2c3ccccc3c3cc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)ccc3n21.
What is the InChIKey of 10-(4-dibenzofuran-4-ylphenyl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8(13),9,11,15(23),17,19,21-undecaene?
The InChIKey is LDLSQGVZHCMMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H23N3O/c1-2-10-30-27(8-1)32-22-25(20-21-34(32)42-38(30)41-36-31-11-3-5-14-33(31)40-39(36)42)23-16-18-24(19-17-23)26-12-7-13-29-28-9-4-6-15-35(28)43-37(26)29/h1-22,40H.
What are the key properties of 10-(4-dibenzofuran-4-ylphenyl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8(13),9,11,15(23),17,19,21-undecaene?
10-(4-dibenzofuran-4-ylphenyl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8(13),9,11,15(23),17,19,21-undecaene has a molecular weight of 549.63 g/mol, XLogP of 10.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-dibenzofuran-4-ylphenyl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8(13),9,11,15(23),17,19,21-undecaene is sourced from PubChem (CID 159318599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).