24-phenyl-20-(9-phenylcarbazol-3-yl)-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18(23),19,21-undecaene

C45H28N4 — CID 129127983

IUPAC24-phenyl-20-(9-phenylcarbazol-3-yl)-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18(23),19,21-undecaene
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4c6ccccc6c6nc7ccccc7n6c4n5-c4ccccc4)ccc32)cc1
InChIInChI=1S/C45H28N4/c1-3-13-31(14-4-1)47-39-21-11-9-17-33(39)36-27-29(23-25-40(36)47)30-24-26-41-37(28-30)43-34-18-7-8-19-35(34)44-46-38-20-10-12-22-42(38)49(44)45(43)48(41)32-15-5-2-6-16-32/h1-28H
InChIKeyUYTJDLTVQUJEOR-UHFFFAOYSA-N
MW624.75 g/mol
LogP11.50
Rot. Bonds3

About 24-phenyl-20-(9-phenylcarbazol-3-yl)-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18(23),19,21-undecaene

24-phenyl-20-(9-phenylcarbazol-3-yl)-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18(23),19,21-undecaene (PubChem CID 129127983) has the molecular formula C45H28N4 and a molecular weight of 624.75 g/mol. Its IUPAC name is 24-phenyl-20-(9-phenylcarbazol-3-yl)-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18(23),19,21-undecaene.

Molecular Properties

Compound Name24-phenyl-20-(9-phenylcarbazol-3-yl)-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18(23),19,21-undecaene
PubChem CID129127983
Molecular FormulaC45H28N4
Molecular Weight624.75 g/mol
Exact Mass624.23
IUPAC Name24-phenyl-20-(9-phenylcarbazol-3-yl)-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18(23),19,21-undecaene
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4c6ccccc6c6nc7ccccc7n6c4n5-c4ccccc4)ccc32)cc1
InChIInChI=1S/C45H28N4/c1-3-13-31(14-4-1)47-39-21-11-9-17-33(39)36-27-29(23-25-40(36)47)30-24-26-41-37(28-30)43-34-18-7-8-19-35(34)44-46-38-20-10-12-22-42(38)49(44)45(43)48(41)32-15-5-2-6-16-32/h1-28H
InChIKeyUYTJDLTVQUJEOR-UHFFFAOYSA-N
XLogP11.50
TPSA27.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.75
LogP ≤ 511.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 24-phenyl-20-(9-phenylcarbazol-3-yl)-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18(23),19,21-undecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 24-phenyl-20-(9-phenylcarbazol-3-yl)-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18(23),19,21-undecaene?
The IUPAC name of 24-phenyl-20-(9-phenylcarbazol-3-yl)-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18(23),19,21-undecaene (CID 129127983) is 24-phenyl-20-(9-phenylcarbazol-3-yl)-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18(23),19,21-undecaene.
What is the SMILES notation for 24-phenyl-20-(9-phenylcarbazol-3-yl)-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18(23),19,21-undecaene?
The canonical SMILES for 24-phenyl-20-(9-phenylcarbazol-3-yl)-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18(23),19,21-undecaene is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4c6ccccc6c6nc7ccccc7n6c4n5-c4ccccc4)ccc32)cc1.
What is the InChIKey of 24-phenyl-20-(9-phenylcarbazol-3-yl)-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18(23),19,21-undecaene?
The InChIKey is UYTJDLTVQUJEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N4/c1-3-13-31(14-4-1)47-39-21-11-9-17-33(39)36-27-29(23-25-40(36)47)30-24-26-41-37(28-30)43-34-18-7-8-19-35(34)44-46-38-20-10-12-22-42(38)49(44)45(43)48(41)32-15-5-2-6-16-32/h1-28H.
What are the key properties of 24-phenyl-20-(9-phenylcarbazol-3-yl)-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18(23),19,21-undecaene?
24-phenyl-20-(9-phenylcarbazol-3-yl)-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18(23),19,21-undecaene has a molecular weight of 624.75 g/mol, XLogP of 11.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 24-phenyl-20-(9-phenylcarbazol-3-yl)-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18(23),19,21-undecaene is sourced from PubChem (CID 129127983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).