1-[3-[9-(3,5-diphenylphenyl)-9H-fluoren-3-yl]-9H-fluoren-9-yl]triphenylene

C62H40 — CID 164811988

IUPAC1-[3-[9-(3,5-diphenylphenyl)-9H-fluoren-3-yl]-9H-fluoren-9-yl]triphenylene
SMILESc1ccc(-c2cc(-c3ccccc3)cc(C3c4ccccc4-c4cc(-c5ccc6c(c5)-c5ccccc5C6c5cccc6c7ccccc7c7ccccc7c56)ccc43)c2)cc1
InChIInChI=1S/C62H40/c1-3-16-39(17-4-1)43-34-44(40-18-5-2-6-19-40)36-45(35-43)60-51-25-12-10-23-49(51)58-37-41(30-32-55(58)60)42-31-33-56-59(38-42)50-24-11-14-27-53(50)62(56)57-29-15-28-54-48-21-8-7-20-46(48)47-22-9-13-26-52(47)61(54)57/h1-38,60,62H
InChIKeyBLEAJENRPFPMFB-UHFFFAOYSA-N
MW785.00 g/mol
LogP16.47
Rot. Bonds5

About 1-[3-[9-(3,5-diphenylphenyl)-9H-fluoren-3-yl]-9H-fluoren-9-yl]triphenylene

1-[3-[9-(3,5-diphenylphenyl)-9H-fluoren-3-yl]-9H-fluoren-9-yl]triphenylene (PubChem CID 164811988) has the molecular formula C62H40 and a molecular weight of 785.00 g/mol. Its IUPAC name is 1-[3-[9-(3,5-diphenylphenyl)-9H-fluoren-3-yl]-9H-fluoren-9-yl]triphenylene.

Molecular Properties

Compound Name1-[3-[9-(3,5-diphenylphenyl)-9H-fluoren-3-yl]-9H-fluoren-9-yl]triphenylene
PubChem CID164811988
Molecular FormulaC62H40
Molecular Weight785.00 g/mol
Exact Mass784.31
IUPAC Name1-[3-[9-(3,5-diphenylphenyl)-9H-fluoren-3-yl]-9H-fluoren-9-yl]triphenylene
SMILESc1ccc(-c2cc(-c3ccccc3)cc(C3c4ccccc4-c4cc(-c5ccc6c(c5)-c5ccccc5C6c5cccc6c7ccccc7c7ccccc7c56)ccc43)c2)cc1
InChIInChI=1S/C62H40/c1-3-16-39(17-4-1)43-34-44(40-18-5-2-6-19-40)36-45(35-43)60-51-25-12-10-23-49(51)58-37-41(30-32-55(58)60)42-31-33-56-59(38-42)50-24-11-14-27-53(50)62(56)57-29-15-28-54-48-21-8-7-20-46(48)47-22-9-13-26-52(47)61(54)57/h1-38,60,62H
InChIKeyBLEAJENRPFPMFB-UHFFFAOYSA-N
XLogP16.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500785.00
LogP ≤ 516.47
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

9-[4-[3-[3-[4-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]phenyl]-9H-fluorene
CID 58556073
2-[3-(9H-fluoren-9-yl)phenyl]triphenylene
CID 162204348
10-[3-(3,5-diphenylphenyl)phenyl]-8,12-diphenyl-10,12-dihydroindeno[2,1-b]fluorene
CID 158775049
[3-[diphenyl-(4-phenylphenyl)silyl]-5-[3-(9H-fluoren-9-yl)-5-phenylphenyl]phenyl]-diphenyl-(4-phenylphenyl)silane
CID 169031730
1-[3-[5-phenyl-9-(4-phenylphenyl)-9H-fluoren-3-yl]-9H-fluoren-9-yl]dibenzothiophene
CID 170073483
9-naphthalen-1-yl-3-[4-[(4-phenylphenyl)methyl]phenyl]-9H-fluorene
CID 123329963
12-(3,5-diphenylphenyl)-16-phenylhexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 159880784
9-[4-[4-[4-(9H-fluoren-9-yl)phenyl]-2-phenylphenyl]phenyl]-9H-fluorene
CID 58556035
3-[9-(3,5-diphenylphenyl)-9H-fluoren-3-yl]-9-naphthalen-2-yl-9H-fluorene;3-(9-naphthalen-2-yl-9H-fluoren-3-yl)-9-(3-phenylphenyl)carbazole
CID 161333378
9-[4-[3-[4-(9H-fluoren-9-yl)phenyl]-5-naphthalen-1-ylphenyl]phenyl]-9H-fluorene
CID 58556083
3-[9-[3-(4-carbazol-9-ylphenyl)phenyl]-9H-fluoren-3-yl]-9-phenylcarbazole
CID 170060039
1-[2-[2-(9-phenyl-9H-fluoren-3-yl)-9H-fluoren-9-yl]phenyl]dibenzofuran
CID 126753743

Frequently Asked Questions

What is the IUPAC name of 1-[3-[9-(3,5-diphenylphenyl)-9H-fluoren-3-yl]-9H-fluoren-9-yl]triphenylene?
The IUPAC name of 1-[3-[9-(3,5-diphenylphenyl)-9H-fluoren-3-yl]-9H-fluoren-9-yl]triphenylene (CID 164811988) is 1-[3-[9-(3,5-diphenylphenyl)-9H-fluoren-3-yl]-9H-fluoren-9-yl]triphenylene.
What is the SMILES notation for 1-[3-[9-(3,5-diphenylphenyl)-9H-fluoren-3-yl]-9H-fluoren-9-yl]triphenylene?
The canonical SMILES for 1-[3-[9-(3,5-diphenylphenyl)-9H-fluoren-3-yl]-9H-fluoren-9-yl]triphenylene is c1ccc(-c2cc(-c3ccccc3)cc(C3c4ccccc4-c4cc(-c5ccc6c(c5)-c5ccccc5C6c5cccc6c7ccccc7c7ccccc7c56)ccc43)c2)cc1.
What is the InChIKey of 1-[3-[9-(3,5-diphenylphenyl)-9H-fluoren-3-yl]-9H-fluoren-9-yl]triphenylene?
The InChIKey is BLEAJENRPFPMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H40/c1-3-16-39(17-4-1)43-34-44(40-18-5-2-6-19-40)36-45(35-43)60-51-25-12-10-23-49(51)58-37-41(30-32-55(58)60)42-31-33-56-59(38-42)50-24-11-14-27-53(50)62(56)57-29-15-28-54-48-21-8-7-20-46(48)47-22-9-13-26-52(47)61(54)57/h1-38,60,62H.
What are the key properties of 1-[3-[9-(3,5-diphenylphenyl)-9H-fluoren-3-yl]-9H-fluoren-9-yl]triphenylene?
1-[3-[9-(3,5-diphenylphenyl)-9H-fluoren-3-yl]-9H-fluoren-9-yl]triphenylene has a molecular weight of 785.00 g/mol, XLogP of 16.47, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[9-(3,5-diphenylphenyl)-9H-fluoren-3-yl]-9H-fluoren-9-yl]triphenylene is sourced from PubChem (CID 164811988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).