2-[8-(2-methylphenyl)-9H-fluoren-1-yl]triphenylene

C38H26 — CID 157108614

IUPAC2-[8-(2-methylphenyl)-9H-fluoren-1-yl]triphenylene
SMILESCc1ccccc1-c1cccc2c1Cc1c(-c3ccc4c5ccccc5c5ccccc5c4c3)cccc1-2
InChIInChI=1S/C38H26/c1-24-10-2-3-11-26(24)28-17-9-19-34-33-18-8-16-27(37(33)23-38(28)34)25-20-21-35-31-14-5-4-12-29(31)30-13-6-7-15-32(30)36(35)22-25/h2-22H,23H2,1H3
InChIKeyMSKDYZHPBOGLAV-UHFFFAOYSA-N
MW482.63 g/mol
LogP10.36
Rot. Bonds2

About 2-[8-(2-methylphenyl)-9H-fluoren-1-yl]triphenylene

2-[8-(2-methylphenyl)-9H-fluoren-1-yl]triphenylene (PubChem CID 157108614) has the molecular formula C38H26 and a molecular weight of 482.63 g/mol. Its IUPAC name is 2-[8-(2-methylphenyl)-9H-fluoren-1-yl]triphenylene.

Molecular Properties

Compound Name2-[8-(2-methylphenyl)-9H-fluoren-1-yl]triphenylene
PubChem CID157108614
Molecular FormulaC38H26
Molecular Weight482.63 g/mol
Exact Mass482.20
IUPAC Name2-[8-(2-methylphenyl)-9H-fluoren-1-yl]triphenylene
SMILESCc1ccccc1-c1cccc2c1Cc1c(-c3ccc4c5ccccc5c5ccccc5c4c3)cccc1-2
InChIInChI=1S/C38H26/c1-24-10-2-3-11-26(24)28-17-9-19-34-33-18-8-16-27(37(33)23-38(28)34)25-20-21-35-31-14-5-4-12-29(31)30-13-6-7-15-32(30)36(35)22-25/h2-22H,23H2,1H3
InChIKeyMSKDYZHPBOGLAV-UHFFFAOYSA-N
XLogP10.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.63
LogP ≤ 510.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,11-bis(9H-fluoren-1-yl)triphenylene
CID 59489264
19-triphenylen-2-ylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene
CID 58489419
18-(3-triphenylen-2-ylphenyl)hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17,19,21,24-dodecaene
CID 58489376
2-[3-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]triphenylene
CID 144803354
3,6-dimethyl-9-[3-(8-triphenylen-2-yl-9H-fluoren-1-yl)phenyl]carbazole
CID 134509745
2-[3-(9H-fluoren-1-yl)-5-phenylphenyl]triphenylene;2-[3-(9H-fluoren-1-yl)phenyl]triphenylene;2-(9H-fluoren-1-yl)triphenylene;2-[3-(8-phenyl-9H-fluoren-1-yl)phenyl]triphenylene
CID 160799240
4-phenyl-2-(8-triphenylen-2-yl-9H-fluoren-1-yl)quinazoline
CID 122487401
2-(1,2-diphenyl-3H-inden-4-yl)triphenylene
CID 59489309
10-triphenylen-2-yl-11H-indeno[1,2-h]quinoline
CID 58489367
3,6-ditert-butyl-9-(8-triphenylen-2-yl-9H-fluoren-1-yl)carbazole
CID 134509749
7,14,25,32-tetrakis(2-methylphenyl)nonacyclo[20.10.1.16,10.02,20.05,19.011,16.023,28.029,33.017,34]tetratriaconta-1(32),2(20),3,5(19),6,8,10(34),11(16),12,14,17,21,23(28),24,26,29(33),30-heptadecaene
CID 58401931
1-[4-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]-9H-fluorene
CID 145108730

Frequently Asked Questions

What is the IUPAC name of 2-[8-(2-methylphenyl)-9H-fluoren-1-yl]triphenylene?
The IUPAC name of 2-[8-(2-methylphenyl)-9H-fluoren-1-yl]triphenylene (CID 157108614) is 2-[8-(2-methylphenyl)-9H-fluoren-1-yl]triphenylene.
What is the SMILES notation for 2-[8-(2-methylphenyl)-9H-fluoren-1-yl]triphenylene?
The canonical SMILES for 2-[8-(2-methylphenyl)-9H-fluoren-1-yl]triphenylene is Cc1ccccc1-c1cccc2c1Cc1c(-c3ccc4c5ccccc5c5ccccc5c4c3)cccc1-2.
What is the InChIKey of 2-[8-(2-methylphenyl)-9H-fluoren-1-yl]triphenylene?
The InChIKey is MSKDYZHPBOGLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26/c1-24-10-2-3-11-26(24)28-17-9-19-34-33-18-8-16-27(37(33)23-38(28)34)25-20-21-35-31-14-5-4-12-29(31)30-13-6-7-15-32(30)36(35)22-25/h2-22H,23H2,1H3.
What are the key properties of 2-[8-(2-methylphenyl)-9H-fluoren-1-yl]triphenylene?
2-[8-(2-methylphenyl)-9H-fluoren-1-yl]triphenylene has a molecular weight of 482.63 g/mol, XLogP of 10.36, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(2-methylphenyl)-9H-fluoren-1-yl]triphenylene is sourced from PubChem (CID 157108614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).