5-(9,9-dimethyl-7-triphenylen-2-ylfluoren-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene

C51H32O2 — CID 163474399

IUPAC5-(9,9-dimethyl-7-triphenylen-2-ylfluoren-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
SMILESCC1(C)c2cc(-c3ccc4c5ccccc5c5ccccc5c4c3)ccc2-c2ccc(-c3cccc4c3oc3c4ccc4c5ccccc5oc43)cc21
InChIInChI=1S/C51H32O2/c1-51(2)45-27-30(29-18-21-37-35-12-4-3-10-33(35)34-11-5-6-13-36(34)44(37)26-29)19-22-38(45)39-23-20-31(28-46(39)51)32-15-9-16-41-43-25-24-42-40-14-7-8-17-47(40)52-49(42)50(43)53-48(32)41/h3-28H,1-2H3
InChIKeyBZFTVHKNNODDCU-UHFFFAOYSA-N
MW676.82 g/mol
LogP14.59
Rot. Bonds2

About 5-(9,9-dimethyl-7-triphenylen-2-ylfluoren-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene

5-(9,9-dimethyl-7-triphenylen-2-ylfluoren-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene (PubChem CID 163474399) has the molecular formula C51H32O2 and a molecular weight of 676.82 g/mol. Its IUPAC name is 5-(9,9-dimethyl-7-triphenylen-2-ylfluoren-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene.

Molecular Properties

Compound Name5-(9,9-dimethyl-7-triphenylen-2-ylfluoren-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
PubChem CID163474399
Molecular FormulaC51H32O2
Molecular Weight676.82 g/mol
Exact Mass676.24
IUPAC Name5-(9,9-dimethyl-7-triphenylen-2-ylfluoren-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
SMILESCC1(C)c2cc(-c3ccc4c5ccccc5c5ccccc5c4c3)ccc2-c2ccc(-c3cccc4c3oc3c4ccc4c5ccccc5oc43)cc21
InChIInChI=1S/C51H32O2/c1-51(2)45-27-30(29-18-21-37-35-12-4-3-10-33(35)34-11-5-6-13-36(34)44(37)26-29)19-22-38(45)39-23-20-31(28-46(39)51)32-15-9-16-41-43-25-24-42-40-14-7-8-17-47(40)52-49(42)50(43)53-48(32)41/h3-28H,1-2H3
InChIKeyBZFTVHKNNODDCU-UHFFFAOYSA-N
XLogP14.59
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.82
LogP ≤ 514.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(9,9-dimethyl-7-triphenylen-2-ylfluoren-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene with MolForge

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Related Compounds

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CID 118472826
4-[3-(23,23-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaenyl)phenyl]dibenzofuran
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4-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)dibenzofuran
CID 87688488
3,6-di(dibenzofuran-4-yl)-10,10-dimethylanthracen-9-one
CID 71260985
3-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[2,3-b][1]benzofuran;4-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[2,3-b][1]benzofuran;7,7-dimethyl-1-triphenylen-2-ylfluoreno[2,3-b][1]benzofuran;7,7-dimethyl-2-triphenylen-2-ylfluoreno[2,3-b][1]benzofuran;7,7-dimethyl-3-triphenylen-2-ylfluoreno[2,3-b][1]benzofuran;7,7-dimethyl-4-triphenylen-2-ylfluoreno[2,3-b][1]benzofuran
CID 160855811
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]triphenylen-2-amine
CID 118405775
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-triphenylen-2-ylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-(4-triphenylen-2-ylphenyl)phenyl]fluoren-2-amine
CID 159965334
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)triphenylen-2-amine
CID 118214526
4-(11-dibenzofuran-4-yl-6,7-dimethyltriphenylen-2-yl)dibenzofuran
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7-dibenzofuran-2-yl-N-(7-dibenzofuran-2-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-phenylfluoren-2-amine;7-dibenzofuran-2-yl-N-(7-dibenzofuran-2-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;7-dibenzofuran-4-yl-N-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
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CID 67964106

Frequently Asked Questions

What is the IUPAC name of 5-(9,9-dimethyl-7-triphenylen-2-ylfluoren-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene?
The IUPAC name of 5-(9,9-dimethyl-7-triphenylen-2-ylfluoren-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene (CID 163474399) is 5-(9,9-dimethyl-7-triphenylen-2-ylfluoren-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene.
What is the SMILES notation for 5-(9,9-dimethyl-7-triphenylen-2-ylfluoren-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene?
The canonical SMILES for 5-(9,9-dimethyl-7-triphenylen-2-ylfluoren-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene is CC1(C)c2cc(-c3ccc4c5ccccc5c5ccccc5c4c3)ccc2-c2ccc(-c3cccc4c3oc3c4ccc4c5ccccc5oc43)cc21.
What is the InChIKey of 5-(9,9-dimethyl-7-triphenylen-2-ylfluoren-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene?
The InChIKey is BZFTVHKNNODDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32O2/c1-51(2)45-27-30(29-18-21-37-35-12-4-3-10-33(35)34-11-5-6-13-36(34)44(37)26-29)19-22-38(45)39-23-20-31(28-46(39)51)32-15-9-16-41-43-25-24-42-40-14-7-8-17-47(40)52-49(42)50(43)53-48(32)41/h3-28H,1-2H3.
What are the key properties of 5-(9,9-dimethyl-7-triphenylen-2-ylfluoren-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene?
5-(9,9-dimethyl-7-triphenylen-2-ylfluoren-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene has a molecular weight of 676.82 g/mol, XLogP of 14.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9,9-dimethyl-7-triphenylen-2-ylfluoren-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene is sourced from PubChem (CID 163474399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).