2-(4-tert-butylphenyl)-7-[7-[7-[7-(4-tert-butylphenyl)-9,9-dipropylfluoren-2-yl]-9,9-dipropylfluoren-2-yl]-9,9-dipropylfluoren-2-yl]-9,9-dipropylfluorene

C96H106 — CID 100964700

IUPAC2-(4-tert-butylphenyl)-7-[7-[7-[7-(4-tert-butylphenyl)-9,9-dipropylfluoren-2-yl]-9,9-dipropylfluoren-2-yl]-9,9-dipropylfluoren-2-yl]-9,9-dipropylfluorene
SMILESCCCC1(CCC)c2cc(-c3ccc(C(C)(C)C)cc3)ccc2-c2ccc(-c3ccc4c(c3)C(CCC)(CCC)c3cc(-c5ccc6c(c5)C(CCC)(CCC)c5cc(-c7ccc8c(c7)C(CCC)(CCC)c7cc(-c9ccc(C(C)(C)C)cc9)ccc7-8)ccc5-6)ccc3-4)cc21
InChIInChI=1S/C96H106/c1-15-47-93(48-16-2)83-55-65(63-23-35-73(36-24-63)91(9,10)11)27-39-75(83)77-41-29-67(57-85(77)93)69-31-43-79-81-45-33-71(61-89(81)95(51-19-5,52-20-6)87(79)59-69)72-34-46-82-80-44-32-70(60-88(80)96(53-21-7,54-22-8)90(82)62-72)68-30-42-78-76-40-28-66(64-25-37-74(38-26-64)92(12,13)14)56-84(76)94(49-17-3,50-18-4)86(78)58-68/h23-46,55-62H,15-22,47-54H2,1-14H3
InChIKeyLMZJRCUMTJKVQZ-UHFFFAOYSA-N
MW1259.90 g/mol
LogP28.08
Rot. Bonds21

About 2-(4-tert-butylphenyl)-7-[7-[7-[7-(4-tert-butylphenyl)-9,9-dipropylfluoren-2-yl]-9,9-dipropylfluoren-2-yl]-9,9-dipropylfluoren-2-yl]-9,9-dipropylfluorene

2-(4-tert-butylphenyl)-7-[7-[7-[7-(4-tert-butylphenyl)-9,9-dipropylfluoren-2-yl]-9,9-dipropylfluoren-2-yl]-9,9-dipropylfluoren-2-yl]-9,9-dipropylfluorene (PubChem CID 100964700) has the molecular formula C96H106 and a molecular weight of 1259.90 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-7-[7-[7-[7-(4-tert-butylphenyl)-9,9-dipropylfluoren-2-yl]-9,9-dipropylfluoren-2-yl]-9,9-dipropylfluoren-2-yl]-9,9-dipropylfluorene.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-7-[7-[7-[7-(4-tert-butylphenyl)-9,9-dipropylfluoren-2-yl]-9,9-dipropylfluoren-2-yl]-9,9-dipropylfluoren-2-yl]-9,9-dipropylfluorene
PubChem CID100964700
Molecular FormulaC96H106
Molecular Weight1259.90 g/mol
Exact Mass1258.83
IUPAC Name2-(4-tert-butylphenyl)-7-[7-[7-[7-(4-tert-butylphenyl)-9,9-dipropylfluoren-2-yl]-9,9-dipropylfluoren-2-yl]-9,9-dipropylfluoren-2-yl]-9,9-dipropylfluorene
SMILESCCCC1(CCC)c2cc(-c3ccc(C(C)(C)C)cc3)ccc2-c2ccc(-c3ccc4c(c3)C(CCC)(CCC)c3cc(-c5ccc6c(c5)C(CCC)(CCC)c5cc(-c7ccc8c(c7)C(CCC)(CCC)c7cc(-c9ccc(C(C)(C)C)cc9)ccc7-8)ccc5-6)ccc3-4)cc21
InChIInChI=1S/C96H106/c1-15-47-93(48-16-2)83-55-65(63-23-35-73(36-24-63)91(9,10)11)27-39-75(83)77-41-29-67(57-85(77)93)69-31-43-79-81-45-33-71(61-89(81)95(51-19-5,52-20-6)87(79)59-69)72-34-46-82-80-44-32-70(60-88(80)96(53-21-7,54-22-8)90(82)62-72)68-30-42-78-76-40-28-66(64-25-37-74(38-26-64)92(12,13)14)56-84(76)94(49-17-3,50-18-4)86(78)58-68/h23-46,55-62H,15-22,47-54H2,1-14H3
InChIKeyLMZJRCUMTJKVQZ-UHFFFAOYSA-N
XLogP28.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds21
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001259.90
LogP ≤ 528.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-(4-tert-butylphenyl)-7-[7-[7-[7-(4-tert-butylphenyl)-9,9-dipropylfluoren-2-yl]-9,9-dipropylfluoren-2-yl]-9,9-dipropylfluoren-2-yl]-9,9-dipropylfluorene 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

4-(9,9-dipropyl-7-pyridin-1-ium-4-ylfluoren-2-yl)pyridin-1-ium
CID 102213111
2,7-bis(9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene
CID 86174244
2-phenyl-9,9-dipropylfluorene
CID 154114384
2-bromo-7-(7-bromo-9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene
CID 90202241
3-(4-tert-butylphenyl)-5-[4-[7-[4-[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]-9,9-dioctylfluoren-2-yl]phenyl]-4-phenyl-1,2,4-triazole
CID 101482227
N-(4-tert-butylphenyl)-N-[4-[4-[N-(4-tert-butylphenyl)-4-[5-[5-(7-methyl-9,9-dioctylfluoren-2-yl)thiophen-2-yl]thiophen-2-yl]anilino]phenyl]phenyl]-4-methylaniline
CID 59431360
2-[3,5-bis(7-ethynyl-9,9-dipropylfluoren-2-yl)phenyl]-7-ethynyl-9,9-dipropylfluorene
CID 58587187
2-(4-tert-butylphenyl)-5-(9,9-dihexylfluoren-2-yl)pyridine
CID 122395424
9,9-didodecyl-2,7-diphenylfluorene
CID 139911375
[7-[3,5-bis(4-tert-butylphenyl)phenyl]-9,9-diethylfluoren-2-yl]-[7-[[7-[3,5-bis(4-tert-butylphenyl)phenyl]-9,9-diethylfluoren-2-yl]-diphenylgermyl]-9,9-diethylfluoren-2-yl]-diphenylgermane
CID 59863464
2-(9,9-dipropylfluoren-2-yl)thiophene
CID 129094201
9,9-dibutyl-7-[9,9-dibutyl-7-[9,9-dibutyl-7-[4-[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]fluoren-2-yl]fluoren-2-yl]-N,N-diphenylfluoren-2-amine
CID 102039010

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-7-[7-[7-[7-(4-tert-butylphenyl)-9,9-dipropylfluoren-2-yl]-9,9-dipropylfluoren-2-yl]-9,9-dipropylfluoren-2-yl]-9,9-dipropylfluorene?
The IUPAC name of 2-(4-tert-butylphenyl)-7-[7-[7-[7-(4-tert-butylphenyl)-9,9-dipropylfluoren-2-yl]-9,9-dipropylfluoren-2-yl]-9,9-dipropylfluoren-2-yl]-9,9-dipropylfluorene (CID 100964700) is 2-(4-tert-butylphenyl)-7-[7-[7-[7-(4-tert-butylphenyl)-9,9-dipropylfluoren-2-yl]-9,9-dipropylfluoren-2-yl]-9,9-dipropylfluoren-2-yl]-9,9-dipropylfluorene.
What is the SMILES notation for 2-(4-tert-butylphenyl)-7-[7-[7-[7-(4-tert-butylphenyl)-9,9-dipropylfluoren-2-yl]-9,9-dipropylfluoren-2-yl]-9,9-dipropylfluoren-2-yl]-9,9-dipropylfluorene?
The canonical SMILES for 2-(4-tert-butylphenyl)-7-[7-[7-[7-(4-tert-butylphenyl)-9,9-dipropylfluoren-2-yl]-9,9-dipropylfluoren-2-yl]-9,9-dipropylfluoren-2-yl]-9,9-dipropylfluorene is CCCC1(CCC)c2cc(-c3ccc(C(C)(C)C)cc3)ccc2-c2ccc(-c3ccc4c(c3)C(CCC)(CCC)c3cc(-c5ccc6c(c5)C(CCC)(CCC)c5cc(-c7ccc8c(c7)C(CCC)(CCC)c7cc(-c9ccc(C(C)(C)C)cc9)ccc7-8)ccc5-6)ccc3-4)cc21.
What is the InChIKey of 2-(4-tert-butylphenyl)-7-[7-[7-[7-(4-tert-butylphenyl)-9,9-dipropylfluoren-2-yl]-9,9-dipropylfluoren-2-yl]-9,9-dipropylfluoren-2-yl]-9,9-dipropylfluorene?
The InChIKey is LMZJRCUMTJKVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H106/c1-15-47-93(48-16-2)83-55-65(63-23-35-73(36-24-63)91(9,10)11)27-39-75(83)77-41-29-67(57-85(77)93)69-31-43-79-81-45-33-71(61-89(81)95(51-19-5,52-20-6)87(79)59-69)72-34-46-82-80-44-32-70(60-88(80)96(53-21-7,54-22-8)90(82)62-72)68-30-42-78-76-40-28-66(64-25-37-74(38-26-64)92(12,13)14)56-84(76)94(49-17-3,50-18-4)86(78)58-68/h23-46,55-62H,15-22,47-54H2,1-14H3.
What are the key properties of 2-(4-tert-butylphenyl)-7-[7-[7-[7-(4-tert-butylphenyl)-9,9-dipropylfluoren-2-yl]-9,9-dipropylfluoren-2-yl]-9,9-dipropylfluoren-2-yl]-9,9-dipropylfluorene?
2-(4-tert-butylphenyl)-7-[7-[7-[7-(4-tert-butylphenyl)-9,9-dipropylfluoren-2-yl]-9,9-dipropylfluoren-2-yl]-9,9-dipropylfluoren-2-yl]-9,9-dipropylfluorene has a molecular weight of 1259.90 g/mol, XLogP of 28.08, 21 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-7-[7-[7-[7-(4-tert-butylphenyl)-9,9-dipropylfluoren-2-yl]-9,9-dipropylfluoren-2-yl]-9,9-dipropylfluoren-2-yl]-9,9-dipropylfluorene is sourced from PubChem (CID 100964700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).