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

C39H24N4 — CID 135212584

IUPAC22-(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
SMILESc1ccc(-n2c3ccccc3c3c(-n4c5ccccc5c5c4nc4c6ccccc6c6ccccc6n45)cccc32)cc1
InChIInChI=1S/C39H24N4/c1-2-13-25(14-3-1)41-32-21-10-7-18-29(32)36-34(41)23-12-24-35(36)42-33-22-11-8-19-30(33)37-39(42)40-38-28-17-5-4-15-26(28)27-16-6-9-20-31(27)43(37)38/h1-24H
InChIKeyZJNCBBJSKSXQTP-UHFFFAOYSA-N
MW548.65 g/mol
LogP9.83
Rot. Bonds2

About 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

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 (PubChem CID 135212584) has the molecular formula C39H24N4 and a molecular weight of 548.65 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name22-(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
PubChem CID135212584
Molecular FormulaC39H24N4
Molecular Weight548.65 g/mol
Exact Mass548.20
IUPAC Name22-(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
SMILESc1ccc(-n2c3ccccc3c3c(-n4c5ccccc5c5c4nc4c6ccccc6c6ccccc6n45)cccc32)cc1
InChIInChI=1S/C39H24N4/c1-2-13-25(14-3-1)41-32-21-10-7-18-29(32)36-34(41)23-12-24-35(36)42-33-22-11-8-19-30(33)37-39(42)40-38-28-17-5-4-15-26(28)27-16-6-9-20-31(27)43(37)38/h1-24H
InChIKeyZJNCBBJSKSXQTP-UHFFFAOYSA-N
XLogP9.83
TPSA27.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.65
LogP ≤ 59.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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-[3,5-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
22-(1-phenylbenzimidazol-2-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 135212469
22-fluoranthen-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),16,18,20-undecaene
CID 135212714
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
12,18-diphenyl-15-(9-phenylcarbazol-4-yl)-12,15,18-triazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 174349441
1-carbazol-9-yl-9-[9-(9-phenylcarbazol-1-yl)carbazol-4-yl]carbazole
CID 177094947
1-(4-carbazol-9-ylcarbazol-9-yl)-9-(9-phenylcarbazol-1-yl)carbazole
CID 177094929
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-(4-phenylquinolin-2-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 135212459
4-carbazol-9-yl-9-[3,5-di(carbazol-9-yl)phenyl]carbazole
CID 134352687
triphenyl-[3-[4-[1-(9-phenylcarbazol-4-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
CID 166589089

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-n2c3ccccc3c3c(-n4c5ccccc5c5c4nc4c6ccccc6c6ccccc6n45)cccc32)cc1.
What is the InChIKey of 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?
The InChIKey is ZJNCBBJSKSXQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24N4/c1-2-13-25(14-3-1)41-32-21-10-7-18-29(32)36-34(41)23-12-24-35(36)42-33-22-11-8-19-30(33)37-39(42)40-38-28-17-5-4-15-26(28)27-16-6-9-20-31(27)43(37)38/h1-24H.
What are the key properties of 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?
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 has a molecular weight of 548.65 g/mol, XLogP of 9.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 135212584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).