5-(8-methyl-9H-fluoren-1-yl)-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene

C35H25B — CID 165075596

IUPAC5-(8-methyl-9H-fluoren-1-yl)-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
SMILESCc1cccc2c1Cc1c(-c3cc4c5c(c3)Cc3cccc6c3B5c3c(cccc3C4)C6)cccc1-2
InChIInChI=1S/C35H25B/c1-20-6-2-12-29-30-13-5-11-28(32(30)19-31(20)29)25-17-26-15-23-9-3-7-21-14-22-8-4-10-24-16-27(18-25)35(26)36(33(21)23)34(22)24/h2-13,17-18H,14-16,19H2,1H3
InChIKeyJNORMBZPJUVBFS-UHFFFAOYSA-N
MW456.40 g/mol
LogP5.46
Rot. Bonds1

About 5-(8-methyl-9H-fluoren-1-yl)-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene

5-(8-methyl-9H-fluoren-1-yl)-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene (PubChem CID 165075596) has the molecular formula C35H25B and a molecular weight of 456.40 g/mol. Its IUPAC name is 5-(8-methyl-9H-fluoren-1-yl)-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene.

Molecular Properties

Compound Name5-(8-methyl-9H-fluoren-1-yl)-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
PubChem CID165075596
Molecular FormulaC35H25B
Molecular Weight456.40 g/mol
Exact Mass456.20
IUPAC Name5-(8-methyl-9H-fluoren-1-yl)-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
SMILESCc1cccc2c1Cc1c(-c3cc4c5c(c3)Cc3cccc6c3B5c3c(cccc3C4)C6)cccc1-2
InChIInChI=1S/C35H25B/c1-20-6-2-12-29-30-13-5-11-28(32(30)19-31(20)29)25-17-26-15-23-9-3-7-21-14-22-8-4-10-24-16-27(18-25)35(26)36(33(21)23)34(22)24/h2-13,17-18H,14-16,19H2,1H3
InChIKeyJNORMBZPJUVBFS-UHFFFAOYSA-N
XLogP5.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.40
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 5-(8-methyl-9H-fluoren-1-yl)-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene with MolForge

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Related Compounds

1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene
CID 102347214
5-(2,6-dimethylphenyl)-4,6-dimethyl-10H-benzo[b][1]benzoborinine;ethane
CID 160955410
8,8,14,14,22,22-hexamethyl-5-(8-phenyl-9H-fluoren-1-yl)-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene
CID 159173190
9,9-dimethyl-2-(8-methyl-9H-fluoren-1-yl)fluorene
CID 157156371
ethane;1-(2-methylphenyl)-9H-fluorene;1-(3-methylphenyl)-9H-fluorene;1-methyl-8-phenyl-9H-fluorene;2-methyl-7-phenyl-9H-fluorene;3-(2-methylphenyl)-9H-fluorene;3-(3-methylphenyl)-9H-fluorene;6-methyl-1-phenyl-9H-fluorene
CID 163579670
1-[4-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]-9H-fluorene
CID 145108730
1-methyl-6-phenyl-9H-fluorene
CID 157259892
2-[8-(2-methylphenyl)-9H-fluoren-1-yl]triphenylene
CID 157108614
11-(2-tert-butylphenyl)-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 174066974
1,8-dimethyl-9,10-dihydrophenanthrene
CID 142741487
2,7-dimethyl-6,12-dihydroindeno[1,2-b]fluorene;2,8-dimethyl-6,12-dihydroindeno[1,2-b]fluorene;2,9-dimethyl-6,12-dihydroindeno[1,2-b]fluorene;bis(2-methyl-7-(3-methylphenyl)-9H-fluorene);bis(2-methyl-7-(4-methylphenyl)-9H-fluorene);6-methyl-2-(3-methylphenyl)-9H-fluorene;6-methyl-2-(4-methylphenyl)-9H-fluorene
CID 159386502
1-[3-(3-methylphenyl)phenyl]-9H-fluorene
CID 159755340

Frequently Asked Questions

What is the IUPAC name of 5-(8-methyl-9H-fluoren-1-yl)-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?
The IUPAC name of 5-(8-methyl-9H-fluoren-1-yl)-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene (CID 165075596) is 5-(8-methyl-9H-fluoren-1-yl)-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene.
What is the SMILES notation for 5-(8-methyl-9H-fluoren-1-yl)-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?
The canonical SMILES for 5-(8-methyl-9H-fluoren-1-yl)-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene is Cc1cccc2c1Cc1c(-c3cc4c5c(c3)Cc3cccc6c3B5c3c(cccc3C4)C6)cccc1-2.
What is the InChIKey of 5-(8-methyl-9H-fluoren-1-yl)-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?
The InChIKey is JNORMBZPJUVBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H25B/c1-20-6-2-12-29-30-13-5-11-28(32(30)19-31(20)29)25-17-26-15-23-9-3-7-21-14-22-8-4-10-24-16-27(18-25)35(26)36(33(21)23)34(22)24/h2-13,17-18H,14-16,19H2,1H3.
What are the key properties of 5-(8-methyl-9H-fluoren-1-yl)-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?
5-(8-methyl-9H-fluoren-1-yl)-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene has a molecular weight of 456.40 g/mol, XLogP of 5.46, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-methyl-9H-fluoren-1-yl)-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene is sourced from PubChem (CID 165075596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).