3-[4-[7-[7-(4-fluoranthen-3-yl-3-methylphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-2-methylphenyl]fluoranthene

C76H54 — CID 123260032

IUPAC3-[4-[7-[7-(4-fluoranthen-3-yl-3-methylphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-2-methylphenyl]fluoranthene
SMILESCc1cc(-c2ccc3c(c2)C(C)(C)c2cc(-c4ccc5c(c4)C(C)(C)c4cc(-c6ccc(-c7ccc8c9c(cccc79)-c7ccccc7-8)c(C)c6)ccc4-5)ccc2-3)ccc1-c1ccc2c3c(cccc13)-c1ccccc1-2
InChIInChI=1S/C76H54/c1-43-37-45(21-27-51(43)57-33-35-67-55-15-9-7-13-53(55)63-17-11-19-65(57)73(63)67)47-23-29-59-61-31-25-49(41-71(61)75(3,4)69(59)39-47)50-26-32-62-60-30-24-48(40-70(60)76(5,6)72(62)42-50)46-22-28-52(44(2)38-46)58-34-36-68-56-16-10-8-14-54(56)64-18-12-20-66(58)74(64)68/h7-42H,1-6H3
InChIKeyQSJQHORBJSBESW-UHFFFAOYSA-N
MW967.27 g/mol
LogP20.85
Rot. Bonds5

About 3-[4-[7-[7-(4-fluoranthen-3-yl-3-methylphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-2-methylphenyl]fluoranthene

3-[4-[7-[7-(4-fluoranthen-3-yl-3-methylphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-2-methylphenyl]fluoranthene (PubChem CID 123260032) has the molecular formula C76H54 and a molecular weight of 967.27 g/mol. Its IUPAC name is 3-[4-[7-[7-(4-fluoranthen-3-yl-3-methylphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-2-methylphenyl]fluoranthene.

Molecular Properties

Compound Name3-[4-[7-[7-(4-fluoranthen-3-yl-3-methylphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-2-methylphenyl]fluoranthene
PubChem CID123260032
Molecular FormulaC76H54
Molecular Weight967.27 g/mol
Exact Mass966.42
IUPAC Name3-[4-[7-[7-(4-fluoranthen-3-yl-3-methylphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-2-methylphenyl]fluoranthene
SMILESCc1cc(-c2ccc3c(c2)C(C)(C)c2cc(-c4ccc5c(c4)C(C)(C)c4cc(-c6ccc(-c7ccc8c9c(cccc79)-c7ccccc7-8)c(C)c6)ccc4-5)ccc2-3)ccc1-c1ccc2c3c(cccc13)-c1ccccc1-2
InChIInChI=1S/C76H54/c1-43-37-45(21-27-51(43)57-33-35-67-55-15-9-7-13-53(55)63-17-11-19-65(57)73(63)67)47-23-29-59-61-31-25-49(41-71(61)75(3,4)69(59)39-47)50-26-32-62-60-30-24-48(40-70(60)76(5,6)72(62)42-50)46-22-28-52(44(2)38-46)58-34-36-68-56-16-10-8-14-54(56)64-18-12-20-66(58)74(64)68/h7-42H,1-6H3
InChIKeyQSJQHORBJSBESW-UHFFFAOYSA-N
XLogP20.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500967.27
LogP ≤ 520.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3-[4-[7-[7-(4-fluoranthen-3-yl-3-methylphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-2-methylphenyl]fluoranthene 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

3-[3-(9,9-dimethylfluoren-2-yl)-5-fluoranthen-3-ylphenyl]fluoranthene
CID 166019404
3-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)naphthalen-1-yl]fluoranthene
CID 58569073
3-[4-[7-[9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]fluoranthene
CID 123377158
3-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]fluoranthene
CID 58569433
3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]fluoranthene
CID 58569056
3-[5-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)naphthalen-1-yl]fluoranthene
CID 58569600
3-[4-[4-[4-[7-[9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]fluoranthene
CID 123322514
3-[6-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]fluoranthene
CID 58569042
3-[3-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)phenyl]fluoranthene
CID 58569543
3-[3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-5-phenylphenyl]fluoranthene
CID 58569427
9-tert-butyl-3-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]fluoranthene
CID 123539490
2-(9,9-dimethylfluoren-2-yl)-7-[7-[9,9-dimethyl-7-(2-naphthalen-1-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 58881021

Frequently Asked Questions

What is the IUPAC name of 3-[4-[7-[7-(4-fluoranthen-3-yl-3-methylphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-2-methylphenyl]fluoranthene?
The IUPAC name of 3-[4-[7-[7-(4-fluoranthen-3-yl-3-methylphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-2-methylphenyl]fluoranthene (CID 123260032) is 3-[4-[7-[7-(4-fluoranthen-3-yl-3-methylphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-2-methylphenyl]fluoranthene.
What is the SMILES notation for 3-[4-[7-[7-(4-fluoranthen-3-yl-3-methylphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-2-methylphenyl]fluoranthene?
The canonical SMILES for 3-[4-[7-[7-(4-fluoranthen-3-yl-3-methylphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-2-methylphenyl]fluoranthene is Cc1cc(-c2ccc3c(c2)C(C)(C)c2cc(-c4ccc5c(c4)C(C)(C)c4cc(-c6ccc(-c7ccc8c9c(cccc79)-c7ccccc7-8)c(C)c6)ccc4-5)ccc2-3)ccc1-c1ccc2c3c(cccc13)-c1ccccc1-2.
What is the InChIKey of 3-[4-[7-[7-(4-fluoranthen-3-yl-3-methylphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-2-methylphenyl]fluoranthene?
The InChIKey is QSJQHORBJSBESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H54/c1-43-37-45(21-27-51(43)57-33-35-67-55-15-9-7-13-53(55)63-17-11-19-65(57)73(63)67)47-23-29-59-61-31-25-49(41-71(61)75(3,4)69(59)39-47)50-26-32-62-60-30-24-48(40-70(60)76(5,6)72(62)42-50)46-22-28-52(44(2)38-46)58-34-36-68-56-16-10-8-14-54(56)64-18-12-20-66(58)74(64)68/h7-42H,1-6H3.
What are the key properties of 3-[4-[7-[7-(4-fluoranthen-3-yl-3-methylphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-2-methylphenyl]fluoranthene?
3-[4-[7-[7-(4-fluoranthen-3-yl-3-methylphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-2-methylphenyl]fluoranthene has a molecular weight of 967.27 g/mol, XLogP of 20.85, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[7-[7-(4-fluoranthen-3-yl-3-methylphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-2-methylphenyl]fluoranthene is sourced from PubChem (CID 123260032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).