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

C45H28N4 — CID 142398601

IUPAC22-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
SMILESc1ccc(-n2c3ccccc3c3c(-c4ccc5c(c4)n(-c4ccccc4)c4nc6c7ccccc7c7ccccc7n6c54)cccc32)cc1
InChIInChI=1S/C45H28N4/c1-3-14-30(15-4-1)47-39-24-12-10-21-36(39)42-32(22-13-25-40(42)47)29-26-27-37-41(28-29)48(31-16-5-2-6-17-31)45-43(37)49-38-23-11-9-19-34(38)33-18-7-8-20-35(33)44(49)46-45/h1-28H
InChIKeyIOKURCHVVFIFAI-UHFFFAOYSA-N
MW624.75 g/mol
LogP11.50
Rot. Bonds3

About 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

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 (PubChem CID 142398601) has the molecular formula C45H28N4 and a molecular weight of 624.75 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name22-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
PubChem CID142398601
Molecular FormulaC45H28N4
Molecular Weight624.75 g/mol
Exact Mass624.23
IUPAC Name22-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
SMILESc1ccc(-n2c3ccccc3c3c(-c4ccc5c(c4)n(-c4ccccc4)c4nc6c7ccccc7c7ccccc7n6c54)cccc32)cc1
InChIInChI=1S/C45H28N4/c1-3-14-30(15-4-1)47-39-24-12-10-21-36(39)42-32(22-13-25-40(42)47)29-26-27-37-41(28-29)48(31-16-5-2-6-17-31)45-43(37)49-38-23-11-9-19-34(38)33-18-7-8-20-35(33)44(49)46-45/h1-28H
InChIKeyIOKURCHVVFIFAI-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

Computed Properties (RDKit)

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

Analyze 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 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-(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),16,18,20-undecaene
CID 135212584
4-(9-phenylcarbazol-2-yl)-9-[2-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]carbazole
CID 170386628
7-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole
CID 129221779
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
4-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 118231228
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
1-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;2-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;4-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 159875127
22-[3,5-di(carbazol-9-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),16,18,20-undecaene
CID 159421788
4-[9-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 118034704
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
2-(9-phenylcarbazol-4-yl)-9-(4-phenylphenyl)carbazole;4-(9-phenylcarbazol-1-yl)-9-(3-phenylphenyl)carbazole;9-(3-phenylphenyl)-4-[9-(4-phenylphenyl)carbazol-2-yl]carbazole
CID 162097469

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-n2c3ccccc3c3c(-c4ccc5c(c4)n(-c4ccccc4)c4nc6c7ccccc7c7ccccc7n6c54)cccc32)cc1.
What is the InChIKey of 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?
The InChIKey is IOKURCHVVFIFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N4/c1-3-14-30(15-4-1)47-39-24-12-10-21-36(39)42-32(22-13-25-40(42)47)29-26-27-37-41(28-29)48(31-16-5-2-6-17-31)45-43(37)49-38-23-11-9-19-34(38)33-18-7-8-20-35(33)44(49)46-45/h1-28H.
What are the key properties of 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?
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 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 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 is sourced from PubChem (CID 142398601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).