9-dibenzofuran-2-yl-16-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),19,21-decaene

C39H25N3O — CID 166764582

IUPAC9-dibenzofuran-2-yl-16-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),19,21-decaene
SMILESC1=CCC2C(=C1)c1nc3c4ccccc4c4c(-c5ccc6oc7ccccc7c6c5)cccc4n3c1N2c1ccccc1
InChIInChI=1S/C39H25N3O/c1-2-11-25(12-3-1)41-32-18-8-6-16-30(32)37-39(41)42-33-19-10-17-26(36(33)28-14-4-5-15-29(28)38(42)40-37)24-21-22-35-31(23-24)27-13-7-9-20-34(27)43-35/h1-17,19-23,32H,18H2
InChIKeyMFMWKGNCGJNRLH-UHFFFAOYSA-N
MW551.65 g/mol
LogP10.07
Rot. Bonds2

About 9-dibenzofuran-2-yl-16-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),19,21-decaene

9-dibenzofuran-2-yl-16-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),19,21-decaene (PubChem CID 166764582) has the molecular formula C39H25N3O and a molecular weight of 551.65 g/mol. Its IUPAC name is 9-dibenzofuran-2-yl-16-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),19,21-decaene.

Molecular Properties

Compound Name9-dibenzofuran-2-yl-16-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),19,21-decaene
PubChem CID166764582
Molecular FormulaC39H25N3O
Molecular Weight551.65 g/mol
Exact Mass551.20
IUPAC Name9-dibenzofuran-2-yl-16-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),19,21-decaene
SMILESC1=CCC2C(=C1)c1nc3c4ccccc4c4c(-c5ccc6oc7ccccc7c6c5)cccc4n3c1N2c1ccccc1
InChIInChI=1S/C39H25N3O/c1-2-11-25(12-3-1)41-32-18-8-6-16-30(32)37-39(41)42-33-19-10-17-26(36(33)28-14-4-5-15-29(28)38(42)40-37)24-21-22-35-31(23-24)27-13-7-9-20-34(27)43-35/h1-17,19-23,32H,18H2
InChIKeyMFMWKGNCGJNRLH-UHFFFAOYSA-N
XLogP10.07
TPSA33.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.65
LogP ≤ 510.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 9-dibenzofuran-2-yl-16-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),19,21-decaene with MolForge

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Related Compounds

2-(6-dibenzofuran-2-yldibenzofuran-1-yl)-4-(6-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-1,3,5-triazine
CID 170127951
4-dibenzofuran-2-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 176837796
4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole
CID 154602275
9-(9-dibenzofuran-2-yldibenzofuran-1-yl)carbazole
CID 170276500
3,6-di(dibenzofuran-2-yl)-9-[2-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazole
CID 166037350
3-[9-(4-dibenzofuran-2-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole
CID 163486477
4-(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole
CID 149044297
3-phenyl-9-[10-[9-[10-(6-phenyl-1,9a-dihydrocarbazol-9-yl)anthracen-9-yl]dibenzofuran-2-yl]anthracen-9-yl]carbazole
CID 163496635
9-[3-(8,8a-dihydrotriphenylen-2-yl)phenyl]-3-dibenzofuran-2-ylcarbazole
CID 129260605
9-[3-[4-(8-dibenzofuran-1-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 162780137
3-(2-dibenzofuran-2-ylphenyl)-9-phenylcarbazole
CID 139423478
4-[3-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole
CID 146572654

Frequently Asked Questions

What is the IUPAC name of 9-dibenzofuran-2-yl-16-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),19,21-decaene?
The IUPAC name of 9-dibenzofuran-2-yl-16-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),19,21-decaene (CID 166764582) is 9-dibenzofuran-2-yl-16-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),19,21-decaene.
What is the SMILES notation for 9-dibenzofuran-2-yl-16-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),19,21-decaene?
The canonical SMILES for 9-dibenzofuran-2-yl-16-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),19,21-decaene is C1=CCC2C(=C1)c1nc3c4ccccc4c4c(-c5ccc6oc7ccccc7c6c5)cccc4n3c1N2c1ccccc1.
What is the InChIKey of 9-dibenzofuran-2-yl-16-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),19,21-decaene?
The InChIKey is MFMWKGNCGJNRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N3O/c1-2-11-25(12-3-1)41-32-18-8-6-16-30(32)37-39(41)42-33-19-10-17-26(36(33)28-14-4-5-15-29(28)38(42)40-37)24-21-22-35-31(23-24)27-13-7-9-20-34(27)43-35/h1-17,19-23,32H,18H2.
What are the key properties of 9-dibenzofuran-2-yl-16-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),19,21-decaene?
9-dibenzofuran-2-yl-16-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),19,21-decaene has a molecular weight of 551.65 g/mol, XLogP of 10.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzofuran-2-yl-16-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),19,21-decaene is sourced from PubChem (CID 166764582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).