9,18,22-triphenyl-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16(21),17,19-undecaene

C39H25N3 — CID 157241425

IUPAC9,18,22-triphenyl-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16(21),17,19-undecaene
SMILESc1ccc(-c2ccc3c(c2)c2c(nc4c5ccccc5c5c(-c6ccccc6)cccc5n42)n3-c2ccccc2)cc1
InChIInChI=1S/C39H25N3/c1-4-13-26(14-5-1)28-23-24-34-33(25-28)37-39(41(34)29-17-8-3-9-18-29)40-38-32-20-11-10-19-31(32)36-30(27-15-6-2-7-16-27)21-12-22-35(36)42(37)38/h1-25H
InChIKeyAVGLESDJKIXBMK-UHFFFAOYSA-N
MW535.65 g/mol
LogP10.07
Rot. Bonds3

About 9,18,22-triphenyl-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16(21),17,19-undecaene

9,18,22-triphenyl-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16(21),17,19-undecaene (PubChem CID 157241425) has the molecular formula C39H25N3 and a molecular weight of 535.65 g/mol. Its IUPAC name is 9,18,22-triphenyl-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16(21),17,19-undecaene.

Molecular Properties

Compound Name9,18,22-triphenyl-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16(21),17,19-undecaene
PubChem CID157241425
Molecular FormulaC39H25N3
Molecular Weight535.65 g/mol
Exact Mass535.20
IUPAC Name9,18,22-triphenyl-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16(21),17,19-undecaene
SMILESc1ccc(-c2ccc3c(c2)c2c(nc4c5ccccc5c5c(-c6ccccc6)cccc5n42)n3-c2ccccc2)cc1
InChIInChI=1S/C39H25N3/c1-4-13-26(14-5-1)28-23-24-34-33(25-28)37-39(41(34)29-17-8-3-9-18-29)40-38-32-20-11-10-19-31(32)36-30(27-15-6-2-7-16-27)21-12-22-35(36)42(37)38/h1-25H
InChIKeyAVGLESDJKIXBMK-UHFFFAOYSA-N
XLogP10.07
TPSA22.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.65
LogP ≤ 510.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 9,18,22-triphenyl-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16(21),17,19-undecaene with MolForge

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Related Compounds

9,18-diphenyl-22-[3-[22-phenyl-18-(9-phenylcarbazol-2-yl)-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2(7),3,5,8,10,12,15(23),16(21),17,19-undecaen-5-yl]phenyl]-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16(21),17,19-undecaene
CID 135212617
22-phenyl-18-[9-(3-phenylphenyl)carbazol-3-yl]-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16(21),17,19-undecaene
CID 135212582
22-phenyl-19-(9-phenylcarbazol-4-yl)-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16(21),17,19-undecaene
CID 142398601
22-(3-phenylphenyl)-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16,18,20-undecaene
CID 135212575
9-phenyl-3-(9-phenylcarbazol-3-yl)-5-[4-(4-phenylphenyl)phenyl]carbazole
CID 134369783
5,9-diphenyl-3-(9-phenylcarbazol-3-yl)carbazole;5-phenyl-3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 160685377
5,9-diphenyl-3-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 162115946
9-phenyl-5-(4-phenylphenyl)-3-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]carbazole
CID 170073009
5-phenyl-9-(3-phenylphenyl)-3-[5-phenyl-9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 134369790
9-phenyl-4-(4-triphenylen-2-ylphenyl)carbazole
CID 118488718
3-(9-phenylcarbazol-3-yl)-9-[8-(4-phenylphenyl)triphenylen-1-yl]carbazole
CID 149305333
5,9-diphenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
CID 177113345

Frequently Asked Questions

What is the IUPAC name of 9,18,22-triphenyl-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16(21),17,19-undecaene?
The IUPAC name of 9,18,22-triphenyl-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16(21),17,19-undecaene (CID 157241425) is 9,18,22-triphenyl-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16(21),17,19-undecaene.
What is the SMILES notation for 9,18,22-triphenyl-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16(21),17,19-undecaene?
The canonical SMILES for 9,18,22-triphenyl-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16(21),17,19-undecaene is c1ccc(-c2ccc3c(c2)c2c(nc4c5ccccc5c5c(-c6ccccc6)cccc5n42)n3-c2ccccc2)cc1.
What is the InChIKey of 9,18,22-triphenyl-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16(21),17,19-undecaene?
The InChIKey is AVGLESDJKIXBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N3/c1-4-13-26(14-5-1)28-23-24-34-33(25-28)37-39(41(34)29-17-8-3-9-18-29)40-38-32-20-11-10-19-31(32)36-30(27-15-6-2-7-16-27)21-12-22-35(36)42(37)38/h1-25H.
What are the key properties of 9,18,22-triphenyl-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16(21),17,19-undecaene?
9,18,22-triphenyl-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16(21),17,19-undecaene has a molecular weight of 535.65 g/mol, XLogP of 10.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,18,22-triphenyl-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16(21),17,19-undecaene is sourced from PubChem (CID 157241425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).