17-dibenzofuran-2-yl-21-(9,9-dimethylfluoren-2-yl)-24,24-dimethyl-17-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaene

C54H39NO — CID 144635189

IUPAC17-dibenzofuran-2-yl-21-(9,9-dimethylfluoren-2-yl)-24,24-dimethyl-17-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaene
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc5c6ccccc6c6ccccc6c5cc3N4c3ccc4oc5ccccc5c4c3)cc21
InChIInChI=1S/C54H39NO/c1-53(2)45-19-11-9-17-39(45)40-24-21-32(27-46(40)53)33-22-25-49-47(28-33)54(3,4)48-30-42-37-15-7-5-13-35(37)36-14-6-8-16-38(36)43(42)31-50(48)55(49)34-23-26-52-44(29-34)41-18-10-12-20-51(41)56-52/h5-31H,1-4H3
InChIKeyGRHSVAKCOKVMFS-UHFFFAOYSA-N
MW717.91 g/mol
LogP15.13
Rot. Bonds2

About 17-dibenzofuran-2-yl-21-(9,9-dimethylfluoren-2-yl)-24,24-dimethyl-17-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaene

17-dibenzofuran-2-yl-21-(9,9-dimethylfluoren-2-yl)-24,24-dimethyl-17-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaene (PubChem CID 144635189) has the molecular formula C54H39NO and a molecular weight of 717.91 g/mol. Its IUPAC name is 17-dibenzofuran-2-yl-21-(9,9-dimethylfluoren-2-yl)-24,24-dimethyl-17-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaene.

Molecular Properties

Compound Name17-dibenzofuran-2-yl-21-(9,9-dimethylfluoren-2-yl)-24,24-dimethyl-17-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaene
PubChem CID144635189
Molecular FormulaC54H39NO
Molecular Weight717.91 g/mol
Exact Mass717.30
IUPAC Name17-dibenzofuran-2-yl-21-(9,9-dimethylfluoren-2-yl)-24,24-dimethyl-17-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaene
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc5c6ccccc6c6ccccc6c5cc3N4c3ccc4oc5ccccc5c4c3)cc21
InChIInChI=1S/C54H39NO/c1-53(2)45-19-11-9-17-39(45)40-24-21-32(27-46(40)53)33-22-25-49-47(28-33)54(3,4)48-30-42-37-15-7-5-13-35(37)36-14-6-8-16-38(36)43(42)31-50(48)55(49)34-23-26-52-44(29-34)41-18-10-12-20-51(41)56-52/h5-31H,1-4H3
InChIKeyGRHSVAKCOKVMFS-UHFFFAOYSA-N
XLogP15.13
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.91
LogP ≤ 515.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 17-dibenzofuran-2-yl-21-(9,9-dimethylfluoren-2-yl)-24,24-dimethyl-17-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaene with MolForge

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Related Compounds

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14-dibenzofuran-3-yl-10,10,21,21-tetramethyl-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
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10-[8-[2-[8-(9,9-dimethylacridin-10-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]-9,9-dimethylacridine
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CID 71003986
2-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]dibenzofuran
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2-dibenzofuran-2-yl-10-[4-(4-fluorophenyl)phenyl]-9,9-dimethyl-7-phenylacridine
CID 71003823
6-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 122427406
7-dibenzofuran-2-yl-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;7-dibenzofuran-3-yl-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
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Frequently Asked Questions

What is the IUPAC name of 17-dibenzofuran-2-yl-21-(9,9-dimethylfluoren-2-yl)-24,24-dimethyl-17-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaene?
The IUPAC name of 17-dibenzofuran-2-yl-21-(9,9-dimethylfluoren-2-yl)-24,24-dimethyl-17-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaene (CID 144635189) is 17-dibenzofuran-2-yl-21-(9,9-dimethylfluoren-2-yl)-24,24-dimethyl-17-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaene.
What is the SMILES notation for 17-dibenzofuran-2-yl-21-(9,9-dimethylfluoren-2-yl)-24,24-dimethyl-17-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaene?
The canonical SMILES for 17-dibenzofuran-2-yl-21-(9,9-dimethylfluoren-2-yl)-24,24-dimethyl-17-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaene is CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc5c6ccccc6c6ccccc6c5cc3N4c3ccc4oc5ccccc5c4c3)cc21.
What is the InChIKey of 17-dibenzofuran-2-yl-21-(9,9-dimethylfluoren-2-yl)-24,24-dimethyl-17-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaene?
The InChIKey is GRHSVAKCOKVMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H39NO/c1-53(2)45-19-11-9-17-39(45)40-24-21-32(27-46(40)53)33-22-25-49-47(28-33)54(3,4)48-30-42-37-15-7-5-13-35(37)36-14-6-8-16-38(36)43(42)31-50(48)55(49)34-23-26-52-44(29-34)41-18-10-12-20-51(41)56-52/h5-31H,1-4H3.
What are the key properties of 17-dibenzofuran-2-yl-21-(9,9-dimethylfluoren-2-yl)-24,24-dimethyl-17-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaene?
17-dibenzofuran-2-yl-21-(9,9-dimethylfluoren-2-yl)-24,24-dimethyl-17-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaene has a molecular weight of 717.91 g/mol, XLogP of 15.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 17-dibenzofuran-2-yl-21-(9,9-dimethylfluoren-2-yl)-24,24-dimethyl-17-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaene is sourced from PubChem (CID 144635189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).