2-(9,9-diphenyl-7-triphenylen-2-ylfluoren-2-yl)triphenylene

C61H38 — CID 58795230

IUPAC2-(9,9-diphenyl-7-triphenylen-2-ylfluoren-2-yl)triphenylene
SMILESc1ccc(C2(c3ccccc3)c3cc(-c4ccc5c6ccccc6c6ccccc6c5c4)ccc3-c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc32)cc1
InChIInChI=1S/C61H38/c1-3-15-43(16-4-1)61(44-17-5-2-6-18-44)59-37-41(39-27-31-53-49-23-9-7-19-45(49)47-21-11-13-25-51(47)57(53)35-39)29-33-55(59)56-34-30-42(38-60(56)61)40-28-32-54-50-24-10-8-20-46(50)48-22-12-14-26-52(48)58(54)36-40/h1-38H
InChIKeySJACJRWMQFTXAA-UHFFFAOYSA-N
MW770.98 g/mol
LogP16.30
Rot. Bonds4

About 2-(9,9-diphenyl-7-triphenylen-2-ylfluoren-2-yl)triphenylene

2-(9,9-diphenyl-7-triphenylen-2-ylfluoren-2-yl)triphenylene (PubChem CID 58795230) has the molecular formula C61H38 and a molecular weight of 770.98 g/mol. Its IUPAC name is 2-(9,9-diphenyl-7-triphenylen-2-ylfluoren-2-yl)triphenylene.

Molecular Properties

Compound Name2-(9,9-diphenyl-7-triphenylen-2-ylfluoren-2-yl)triphenylene
PubChem CID58795230
Molecular FormulaC61H38
Molecular Weight770.98 g/mol
Exact Mass770.30
IUPAC Name2-(9,9-diphenyl-7-triphenylen-2-ylfluoren-2-yl)triphenylene
SMILESc1ccc(C2(c3ccccc3)c3cc(-c4ccc5c6ccccc6c6ccccc6c5c4)ccc3-c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc32)cc1
InChIInChI=1S/C61H38/c1-3-15-43(16-4-1)61(44-17-5-2-6-18-44)59-37-41(39-27-31-53-49-23-9-7-19-45(49)47-21-11-13-25-51(47)57(53)35-39)29-33-55(59)56-34-30-42(38-60(56)61)40-28-32-54-50-24-10-8-20-46(50)48-22-12-14-26-52(48)58(54)36-40/h1-38H
InChIKeySJACJRWMQFTXAA-UHFFFAOYSA-N
XLogP16.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.98
LogP ≤ 516.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-(9,9-diphenyl-7-triphenylen-2-ylfluoren-2-yl)triphenylene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[9,9-bis(4-methylphenyl)-7-triphenylen-2-ylfluoren-2-yl]triphenylene
CID 58795241
2-[3-(9-phenylfluoren-9-yl)phenyl]triphenylene
CID 123153262
2-[4-[9-(4-triphenylen-2-ylphenyl)fluoren-9-yl]phenyl]triphenylene
CID 123796850
N,9,9-triphenyl-N-[4-(4-triphenylen-2-ylphenyl)phenyl]fluoren-2-amine
CID 142567679
2-[10-(9,9-diphenylfluoren-2-yl)triphenylen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 138600364
10-(9,9-diphenyl-7-triphenylen-2-ylfluoren-2-yl)phenothiazine
CID 89368090
9,9-diphenyl-2-[3-(3-phenylphenyl)phenyl]fluorene
CID 154591168
9-[4-(4-methylphenyl)phenyl]-9-phenyl-2,7-bis(4-phenylphenyl)fluorene
CID 58894820
2-[9-(4-methylphenyl)-9-naphthalen-1-yl-7-triphenylen-2-ylfluoren-2-yl]triphenylene
CID 58795272
3-[4-[9,9-diphenyl-7-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-yl]phenyl]-9-phenylcarbazole
CID 89118693
4-[3-[5-(9,9-diphenylfluoren-2-yl)triphenylen-2-yl]phenyl]-2,6-diphenylpyrimidine
CID 138600177
2-iodo-7,9,9-triphenylfluorene
CID 149383994

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-diphenyl-7-triphenylen-2-ylfluoren-2-yl)triphenylene?
The IUPAC name of 2-(9,9-diphenyl-7-triphenylen-2-ylfluoren-2-yl)triphenylene (CID 58795230) is 2-(9,9-diphenyl-7-triphenylen-2-ylfluoren-2-yl)triphenylene.
What is the SMILES notation for 2-(9,9-diphenyl-7-triphenylen-2-ylfluoren-2-yl)triphenylene?
The canonical SMILES for 2-(9,9-diphenyl-7-triphenylen-2-ylfluoren-2-yl)triphenylene is c1ccc(C2(c3ccccc3)c3cc(-c4ccc5c6ccccc6c6ccccc6c5c4)ccc3-c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc32)cc1.
What is the InChIKey of 2-(9,9-diphenyl-7-triphenylen-2-ylfluoren-2-yl)triphenylene?
The InChIKey is SJACJRWMQFTXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H38/c1-3-15-43(16-4-1)61(44-17-5-2-6-18-44)59-37-41(39-27-31-53-49-23-9-7-19-45(49)47-21-11-13-25-51(47)57(53)35-39)29-33-55(59)56-34-30-42(38-60(56)61)40-28-32-54-50-24-10-8-20-46(50)48-22-12-14-26-52(48)58(54)36-40/h1-38H.
What are the key properties of 2-(9,9-diphenyl-7-triphenylen-2-ylfluoren-2-yl)triphenylene?
2-(9,9-diphenyl-7-triphenylen-2-ylfluoren-2-yl)triphenylene has a molecular weight of 770.98 g/mol, XLogP of 16.30, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-diphenyl-7-triphenylen-2-ylfluoren-2-yl)triphenylene is sourced from PubChem (CID 58795230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).