24-dibenzofuran-2-yl-8-phenyl-8,20,24-triazahexacyclo[13.11.0.02,7.09,14.017,25.018,23]hexacosa-1(15),2,4,6,9,11,13,16,18(23),19,21,25-dodecaene

C41H25N3O — CID 118363300

IUPAC24-dibenzofuran-2-yl-8-phenyl-8,20,24-triazahexacyclo[13.11.0.02,7.09,14.017,25.018,23]hexacosa-1(15),2,4,6,9,11,13,16,18(23),19,21,25-dodecaene
SMILESc1ccc(N2c3ccccc3-c3cc4c5cnccc5n(-c5ccc6oc7ccccc7c6c5)c4cc3-c3ccccc32)cc1
InChIInChI=1S/C41H25N3O/c1-2-10-26(11-3-1)43-36-15-7-4-12-28(36)31-23-33-35-25-42-21-20-38(35)44(39(33)24-32(31)29-13-5-8-16-37(29)43)27-18-19-41-34(22-27)30-14-6-9-17-40(30)45-41/h1-25H
InChIKeyVTCMBWUJIFHCBS-UHFFFAOYSA-N
MW575.67 g/mol
LogP11.20
Rot. Bonds2

About 24-dibenzofuran-2-yl-8-phenyl-8,20,24-triazahexacyclo[13.11.0.02,7.09,14.017,25.018,23]hexacosa-1(15),2,4,6,9,11,13,16,18(23),19,21,25-dodecaene

24-dibenzofuran-2-yl-8-phenyl-8,20,24-triazahexacyclo[13.11.0.02,7.09,14.017,25.018,23]hexacosa-1(15),2,4,6,9,11,13,16,18(23),19,21,25-dodecaene (PubChem CID 118363300) has the molecular formula C41H25N3O and a molecular weight of 575.67 g/mol. Its IUPAC name is 24-dibenzofuran-2-yl-8-phenyl-8,20,24-triazahexacyclo[13.11.0.02,7.09,14.017,25.018,23]hexacosa-1(15),2,4,6,9,11,13,16,18(23),19,21,25-dodecaene.

Molecular Properties

Compound Name24-dibenzofuran-2-yl-8-phenyl-8,20,24-triazahexacyclo[13.11.0.02,7.09,14.017,25.018,23]hexacosa-1(15),2,4,6,9,11,13,16,18(23),19,21,25-dodecaene
PubChem CID118363300
Molecular FormulaC41H25N3O
Molecular Weight575.67 g/mol
Exact Mass575.20
IUPAC Name24-dibenzofuran-2-yl-8-phenyl-8,20,24-triazahexacyclo[13.11.0.02,7.09,14.017,25.018,23]hexacosa-1(15),2,4,6,9,11,13,16,18(23),19,21,25-dodecaene
SMILESc1ccc(N2c3ccccc3-c3cc4c5cnccc5n(-c5ccc6oc7ccccc7c6c5)c4cc3-c3ccccc32)cc1
InChIInChI=1S/C41H25N3O/c1-2-10-26(11-3-1)43-36-15-7-4-12-28(36)31-23-33-35-25-42-21-20-38(35)44(39(33)24-32(31)29-13-5-8-16-37(29)43)27-18-19-41-34(22-27)30-14-6-9-17-40(30)45-41/h1-25H
InChIKeyVTCMBWUJIFHCBS-UHFFFAOYSA-N
XLogP11.20
TPSA34.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.67
LogP ≤ 511.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 24-dibenzofuran-2-yl-8-phenyl-8,20,24-triazahexacyclo[13.11.0.02,7.09,14.017,25.018,23]hexacosa-1(15),2,4,6,9,11,13,16,18(23),19,21,25-dodecaene with MolForge

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Related Compounds

8-dibenzofuran-2-yl-5-[3-(8-dibenzofuran-2-ylpyrido[4,3-b]indol-5-yl)-1-benzothiophen-5-yl]pyrido[4,3-b]indole
CID 90251052
9-dibenzofuran-2-yl-3-phenyl-2-(9-phenylcarbazol-4-yl)carbazole
CID 90321522
8-carbazol-9-yl-5-phenylpyrido[4,3-b]indole
CID 149133438
2-(9-dibenzofuran-2-ylcarbazol-1-yl)-3-dibenzothiophen-4-yl-9-phenylcarbazole
CID 90348701
3-(9-dibenzofuran-2-ylcarbazol-2-yl)-2,9-diphenylcarbazole
CID 90321574
2,3-bis(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole
CID 90352217
5-[5-(8-carbazol-9-yldibenzofuran-2-yl)-3-pyridinyl]pyrido[4,3-b]indole
CID 89433740
8-[6-(8-dibenzofuran-2-ylpyrido[4,3-b]indol-5-yl)dibenzofuran-4-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 58099526
5-[2-carbazol-9-yl-4-dibenzofuran-2-yl-5,6-bis(pyrido[4,3-b]indol-5-yl)-3-pyridinyl]pyrido[4,3-b]indole;9-phenyl-3-[2,3,5,6-tetra(carbazol-9-yl)-4-pyridinyl]carbazole
CID 160655506
14,24-diphenyl-14,24-diazahexacyclo[13.11.0.02,7.08,13.017,25.018,23]hexacosa-1(15),2,4,6,8,10,12,16,18,20,22,25-dodecaene
CID 118216147
3,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594554
11-dibenzofuran-2-yl-5-methylindolo[3,2-b]carbazole;11-dibenzothiophen-2-yl-5-methylindolo[3,2-b]carbazole;5-methyl-11-(9-phenylcarbazol-3-yl)indolo[3,2-b]carbazole;5-methyl-11-pyridin-4-ylindolo[3,2-b]carbazole
CID 162098445

Frequently Asked Questions

What is the IUPAC name of 24-dibenzofuran-2-yl-8-phenyl-8,20,24-triazahexacyclo[13.11.0.02,7.09,14.017,25.018,23]hexacosa-1(15),2,4,6,9,11,13,16,18(23),19,21,25-dodecaene?
The IUPAC name of 24-dibenzofuran-2-yl-8-phenyl-8,20,24-triazahexacyclo[13.11.0.02,7.09,14.017,25.018,23]hexacosa-1(15),2,4,6,9,11,13,16,18(23),19,21,25-dodecaene (CID 118363300) is 24-dibenzofuran-2-yl-8-phenyl-8,20,24-triazahexacyclo[13.11.0.02,7.09,14.017,25.018,23]hexacosa-1(15),2,4,6,9,11,13,16,18(23),19,21,25-dodecaene.
What is the SMILES notation for 24-dibenzofuran-2-yl-8-phenyl-8,20,24-triazahexacyclo[13.11.0.02,7.09,14.017,25.018,23]hexacosa-1(15),2,4,6,9,11,13,16,18(23),19,21,25-dodecaene?
The canonical SMILES for 24-dibenzofuran-2-yl-8-phenyl-8,20,24-triazahexacyclo[13.11.0.02,7.09,14.017,25.018,23]hexacosa-1(15),2,4,6,9,11,13,16,18(23),19,21,25-dodecaene is c1ccc(N2c3ccccc3-c3cc4c5cnccc5n(-c5ccc6oc7ccccc7c6c5)c4cc3-c3ccccc32)cc1.
What is the InChIKey of 24-dibenzofuran-2-yl-8-phenyl-8,20,24-triazahexacyclo[13.11.0.02,7.09,14.017,25.018,23]hexacosa-1(15),2,4,6,9,11,13,16,18(23),19,21,25-dodecaene?
The InChIKey is VTCMBWUJIFHCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25N3O/c1-2-10-26(11-3-1)43-36-15-7-4-12-28(36)31-23-33-35-25-42-21-20-38(35)44(39(33)24-32(31)29-13-5-8-16-37(29)43)27-18-19-41-34(22-27)30-14-6-9-17-40(30)45-41/h1-25H.
What are the key properties of 24-dibenzofuran-2-yl-8-phenyl-8,20,24-triazahexacyclo[13.11.0.02,7.09,14.017,25.018,23]hexacosa-1(15),2,4,6,9,11,13,16,18(23),19,21,25-dodecaene?
24-dibenzofuran-2-yl-8-phenyl-8,20,24-triazahexacyclo[13.11.0.02,7.09,14.017,25.018,23]hexacosa-1(15),2,4,6,9,11,13,16,18(23),19,21,25-dodecaene has a molecular weight of 575.67 g/mol, XLogP of 11.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 24-dibenzofuran-2-yl-8-phenyl-8,20,24-triazahexacyclo[13.11.0.02,7.09,14.017,25.018,23]hexacosa-1(15),2,4,6,9,11,13,16,18(23),19,21,25-dodecaene is sourced from PubChem (CID 118363300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).