22-(7'-phenyl-9,9'-spirobi[fluorene]-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

C52H31N3 — CID 135212722

IUPAC22-(7'-phenyl-9,9'-spirobi[fluorene]-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
SMILESc1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(-n4c5ccccc5c5c4nc4c6ccccc6c6ccccc6n45)ccc2-3)cc1
InChIInChI=1S/C52H31N3/c1-2-14-32(15-3-1)33-26-28-38-39-29-27-34(31-46(39)52(45(38)30-33)43-22-10-6-17-36(43)37-18-7-11-23-44(37)52)54-48-25-13-9-21-42(48)49-51(54)53-50-41-20-5-4-16-35(41)40-19-8-12-24-47(40)55(49)50/h1-31H
InChIKeyJZAUTQGJBFLNDJ-UHFFFAOYSA-N
MW697.84 g/mol
LogP12.75
Rot. Bonds2

About 22-(7'-phenyl-9,9'-spirobi[fluorene]-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

22-(7'-phenyl-9,9'-spirobi[fluorene]-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 (PubChem CID 135212722) has the molecular formula C52H31N3 and a molecular weight of 697.84 g/mol. Its IUPAC name is 22-(7'-phenyl-9,9'-spirobi[fluorene]-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.

Molecular Properties

Compound Name22-(7'-phenyl-9,9'-spirobi[fluorene]-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
PubChem CID135212722
Molecular FormulaC52H31N3
Molecular Weight697.84 g/mol
Exact Mass697.25
IUPAC Name22-(7'-phenyl-9,9'-spirobi[fluorene]-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
SMILESc1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(-n4c5ccccc5c5c4nc4c6ccccc6c6ccccc6n45)ccc2-3)cc1
InChIInChI=1S/C52H31N3/c1-2-14-32(15-3-1)33-26-28-38-39-29-27-34(31-46(39)52(45(38)30-33)43-22-10-6-17-36(43)37-18-7-11-23-44(37)52)54-48-25-13-9-21-42(48)49-51(54)53-50-41-20-5-4-16-35(41)40-19-8-12-24-47(40)55(49)50/h1-31H
InChIKeyJZAUTQGJBFLNDJ-UHFFFAOYSA-N
XLogP12.75
TPSA22.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500697.84
LogP ≤ 512.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 22-(7'-phenyl-9,9'-spirobi[fluorene]-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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-[2-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9,9'-spirobi[fluorene]-2'-yl]carbazole
CID 88887022
3-(7'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-[1,2,4]triazolo[4,3-f]phenanthridine
CID 58068624
9-[4-[7'-(4-carbazol-9-ylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59217021
12-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 88886982
9-[3-[4-(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-2-pyridinyl]phenyl]carbazole
CID 130452824
12-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7'-(11-phenylindolo[2,3-a]carbazol-12-yl)-9,9'-spirobi[fluorene]-2'-yl]-11-phenylindolo[2,3-a]carbazole
CID 88886983
9-[4-(2'-carbazol-9-yl-9,9'-spirobi[fluorene]-2-yl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]carbazole
CID 88886986
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
3-(7'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-9-naphthalen-1-ylcarbazole;3-(7'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-9-(4-phenylphenyl)carbazole
CID 158661132
9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59236537
3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 118449222
9-[4-[4-[4-[4-[3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-3-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 134354328

Frequently Asked Questions

What is the IUPAC name of 22-(7'-phenyl-9,9'-spirobi[fluorene]-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?
The IUPAC name of 22-(7'-phenyl-9,9'-spirobi[fluorene]-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 135212722) is 22-(7'-phenyl-9,9'-spirobi[fluorene]-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.
What is the SMILES notation for 22-(7'-phenyl-9,9'-spirobi[fluorene]-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?
The canonical SMILES for 22-(7'-phenyl-9,9'-spirobi[fluorene]-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 is c1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(-n4c5ccccc5c5c4nc4c6ccccc6c6ccccc6n45)ccc2-3)cc1.
What is the InChIKey of 22-(7'-phenyl-9,9'-spirobi[fluorene]-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?
The InChIKey is JZAUTQGJBFLNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H31N3/c1-2-14-32(15-3-1)33-26-28-38-39-29-27-34(31-46(39)52(45(38)30-33)43-22-10-6-17-36(43)37-18-7-11-23-44(37)52)54-48-25-13-9-21-42(48)49-51(54)53-50-41-20-5-4-16-35(41)40-19-8-12-24-47(40)55(49)50/h1-31H.
What are the key properties of 22-(7'-phenyl-9,9'-spirobi[fluorene]-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?
22-(7'-phenyl-9,9'-spirobi[fluorene]-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 has a molecular weight of 697.84 g/mol, XLogP of 12.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 22-(7'-phenyl-9,9'-spirobi[fluorene]-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 is sourced from PubChem (CID 135212722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).