2-[3-cyclododecyl-5-(3,5-diphenylphenyl)phenyl]-9,9-dimethylfluorene;4-[3-[3-cyclododecyl-5-(3,5-diphenylphenyl)phenyl]phenyl]-9,9-dimethylfluorene;2-[3-[3-(3,5-diphenylphenyl)-5-(5-phenylcyclododecyl)phenyl]phenyl]-9,9-dimethylfluorene

C171H168 — CID 167636359

IUPAC2-[3-cyclododecyl-5-(3,5-diphenylphenyl)phenyl]-9,9-dimethylfluorene;4-[3-[3-cyclododecyl-5-(3,5-diphenylphenyl)phenyl]phenyl]-9,9-dimethylfluorene;2-[3-[3-(3,5-diphenylphenyl)-5-(5-phenylcyclododecyl)phenyl]phenyl]-9,9-dimethylfluorene
SMILESCC1(C)c2ccccc2-c2c(-c3cccc(-c4cc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)cc(C5CCCCCCCCCCC5)c4)c3)cccc21.CC1(C)c2ccccc2-c2ccc(-c3cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc(C4CCCCCCCCCCC4)c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4cc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)cc(C5CCCCCCCC(c6ccccc6)CCC5)c4)c3)cc21
InChIInChI=1S/C63H60.C57H56.C51H52/c1-63(2)61-34-18-17-33-59(61)60-36-35-52(44-62(60)63)50-31-20-32-51(37-50)56-39-55(49-24-10-5-3-4-9-21-46(29-19-30-49)45-22-11-6-12-23-45)42-58(43-56)57-40-53(47-25-13-7-14-26-47)38-54(41-57)48-27-15-8-16-28-48;1-57(2)54-32-19-18-30-53(54)56-52(31-21-33-55(56)57)45-29-20-28-44(34-45)49-36-48(41-22-12-8-6-4-3-5-7-9-13-23-41)39-51(40-49)50-37-46(42-24-14-10-15-25-42)35-47(38-50)43-26-16-11-17-27-43;1-51(2)49-27-19-18-26-47(49)48-29-28-40(36-50(48)51)44-31-43(37-20-12-8-6-4-3-5-7-9-13-21-37)34-46(35-44)45-32-41(38-22-14-10-15-23-38)30-42(33-45)39-24-16-11-17-25-39/h6-8,11-18,20,22-23,25-28,31-44,46,49H,3-5,9-10,19,21,24,29-30H2,1-2H3;10-11,14-21,24-41H,3-9,12-13,22-23H2,1-2H3;10-11,14-19,22-37H,3-9,12-13,20-21H2,1-2H3
InChIKeyONMVJEWCDJNNEC-UHFFFAOYSA-N
MW2223.22 g/mol
LogP49.88
Rot. Bonds18

About 2-[3-cyclododecyl-5-(3,5-diphenylphenyl)phenyl]-9,9-dimethylfluorene;4-[3-[3-cyclododecyl-5-(3,5-diphenylphenyl)phenyl]phenyl]-9,9-dimethylfluorene;2-[3-[3-(3,5-diphenylphenyl)-5-(5-phenylcyclododecyl)phenyl]phenyl]-9,9-dimethylfluorene

2-[3-cyclododecyl-5-(3,5-diphenylphenyl)phenyl]-9,9-dimethylfluorene;4-[3-[3-cyclododecyl-5-(3,5-diphenylphenyl)phenyl]phenyl]-9,9-dimethylfluorene;2-[3-[3-(3,5-diphenylphenyl)-5-(5-phenylcyclododecyl)phenyl]phenyl]-9,9-dimethylfluorene (PubChem CID 167636359) has the molecular formula C171H168 and a molecular weight of 2223.22 g/mol. Its IUPAC name is 2-[3-cyclododecyl-5-(3,5-diphenylphenyl)phenyl]-9,9-dimethylfluorene;4-[3-[3-cyclododecyl-5-(3,5-diphenylphenyl)phenyl]phenyl]-9,9-dimethylfluorene;2-[3-[3-(3,5-diphenylphenyl)-5-(5-phenylcyclododecyl)phenyl]phenyl]-9,9-dimethylfluorene.

Molecular Properties

Compound Name2-[3-cyclododecyl-5-(3,5-diphenylphenyl)phenyl]-9,9-dimethylfluorene;4-[3-[3-cyclododecyl-5-(3,5-diphenylphenyl)phenyl]phenyl]-9,9-dimethylfluorene;2-[3-[3-(3,5-diphenylphenyl)-5-(5-phenylcyclododecyl)phenyl]phenyl]-9,9-dimethylfluorene
PubChem CID167636359
Molecular FormulaC171H168
Molecular Weight2223.22 g/mol
Exact Mass2221.31
IUPAC Name2-[3-cyclododecyl-5-(3,5-diphenylphenyl)phenyl]-9,9-dimethylfluorene;4-[3-[3-cyclododecyl-5-(3,5-diphenylphenyl)phenyl]phenyl]-9,9-dimethylfluorene;2-[3-[3-(3,5-diphenylphenyl)-5-(5-phenylcyclododecyl)phenyl]phenyl]-9,9-dimethylfluorene
SMILESCC1(C)c2ccccc2-c2c(-c3cccc(-c4cc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)cc(C5CCCCCCCCCCC5)c4)c3)cccc21.CC1(C)c2ccccc2-c2ccc(-c3cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc(C4CCCCCCCCCCC4)c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4cc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)cc(C5CCCCCCCC(c6ccccc6)CCC5)c4)c3)cc21
InChIInChI=1S/C63H60.C57H56.C51H52/c1-63(2)61-34-18-17-33-59(61)60-36-35-52(44-62(60)63)50-31-20-32-51(37-50)56-39-55(49-24-10-5-3-4-9-21-46(29-19-30-49)45-22-11-6-12-23-45)42-58(43-56)57-40-53(47-25-13-7-14-26-47)38-54(41-57)48-27-15-8-16-28-48;1-57(2)54-32-19-18-30-53(54)56-52(31-21-33-55(56)57)45-29-20-28-44(34-45)49-36-48(41-22-12-8-6-4-3-5-7-9-13-23-41)39-51(40-49)50-37-46(42-24-14-10-15-25-42)35-47(38-50)43-26-16-11-17-27-43;1-51(2)49-27-19-18-26-47(49)48-29-28-40(36-50(48)51)44-31-43(37-20-12-8-6-4-3-5-7-9-13-21-37)34-46(35-44)45-32-41(38-22-14-10-15-23-38)30-42(33-45)39-24-16-11-17-25-39/h6-8,11-18,20,22-23,25-28,31-44,46,49H,3-5,9-10,19,21,24,29-30H2,1-2H3;10-11,14-21,24-41H,3-9,12-13,22-23H2,1-2H3;10-11,14-19,22-37H,3-9,12-13,20-21H2,1-2H3
InChIKeyONMVJEWCDJNNEC-UHFFFAOYSA-N
XLogP49.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms171
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002223.22
LogP ≤ 549.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-[3-cyclododecyl-5-(3,5-diphenylphenyl)phenyl]-9,9-dimethylfluorene;4-[3-[3-cyclododecyl-5-(3,5-diphenylphenyl)phenyl]phenyl]-9,9-dimethylfluorene;2-[3-[3-(3,5-diphenylphenyl)-5-(5-phenylcyclododecyl)phenyl]phenyl]-9,9-dimethylfluorene with MolForge

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Related Compounds

2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]-5-(5-phenylcyclododecyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 165375539
N-(4-cyclohexylphenyl)-9,9-dimethyl-N-[4-[2-phenyl-6-(3-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 168771754
N,N-bis(4-cyclohexylphenyl)-9,9-dimethyl-5-(4-phenylphenyl)fluoren-2-amine
CID 168738594
N-[4-(3-cyclohexylphenyl)phenyl]-N-[4-[3-(3,5-dicyclohexylphenyl)phenyl]-3-methylphenyl]-9,9-dimethylfluoren-2-amine
CID 155466814
N-(4-cycloheptylphenyl)-6-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-phenylfluoren-2-amine
CID 171439085
N-[4-(4-cyclohexylphenyl)phenyl]-8-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 171439072
N-(4-cyclohexylphenyl)-5-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 171438963
N-[4-(4-cyclohexylphenyl)phenyl]-N-[4-[4-(3,5-dicyclohexylphenyl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 155467370
N-(3-cyclohexylphenyl)-N-[4-[4-(3,5-dicyclohexylphenyl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 155467353
N-[4-(4-cyclohexylphenyl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 165384788
4'-[3-[3-[3-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-5-phenylphenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 177115855
N-[4-(4-cyclohexylphenyl)phenyl]-N-[4-[2,5-diphenyl-4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 176611487

Frequently Asked Questions

What is the IUPAC name of 2-[3-cyclododecyl-5-(3,5-diphenylphenyl)phenyl]-9,9-dimethylfluorene;4-[3-[3-cyclododecyl-5-(3,5-diphenylphenyl)phenyl]phenyl]-9,9-dimethylfluorene;2-[3-[3-(3,5-diphenylphenyl)-5-(5-phenylcyclododecyl)phenyl]phenyl]-9,9-dimethylfluorene?
The IUPAC name of 2-[3-cyclododecyl-5-(3,5-diphenylphenyl)phenyl]-9,9-dimethylfluorene;4-[3-[3-cyclododecyl-5-(3,5-diphenylphenyl)phenyl]phenyl]-9,9-dimethylfluorene;2-[3-[3-(3,5-diphenylphenyl)-5-(5-phenylcyclododecyl)phenyl]phenyl]-9,9-dimethylfluorene (CID 167636359) is 2-[3-cyclododecyl-5-(3,5-diphenylphenyl)phenyl]-9,9-dimethylfluorene;4-[3-[3-cyclododecyl-5-(3,5-diphenylphenyl)phenyl]phenyl]-9,9-dimethylfluorene;2-[3-[3-(3,5-diphenylphenyl)-5-(5-phenylcyclododecyl)phenyl]phenyl]-9,9-dimethylfluorene.
What is the SMILES notation for 2-[3-cyclododecyl-5-(3,5-diphenylphenyl)phenyl]-9,9-dimethylfluorene;4-[3-[3-cyclododecyl-5-(3,5-diphenylphenyl)phenyl]phenyl]-9,9-dimethylfluorene;2-[3-[3-(3,5-diphenylphenyl)-5-(5-phenylcyclododecyl)phenyl]phenyl]-9,9-dimethylfluorene?
The canonical SMILES for 2-[3-cyclododecyl-5-(3,5-diphenylphenyl)phenyl]-9,9-dimethylfluorene;4-[3-[3-cyclododecyl-5-(3,5-diphenylphenyl)phenyl]phenyl]-9,9-dimethylfluorene;2-[3-[3-(3,5-diphenylphenyl)-5-(5-phenylcyclododecyl)phenyl]phenyl]-9,9-dimethylfluorene is CC1(C)c2ccccc2-c2c(-c3cccc(-c4cc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)cc(C5CCCCCCCCCCC5)c4)c3)cccc21.CC1(C)c2ccccc2-c2ccc(-c3cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc(C4CCCCCCCCCCC4)c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4cc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)cc(C5CCCCCCCC(c6ccccc6)CCC5)c4)c3)cc21.
What is the InChIKey of 2-[3-cyclododecyl-5-(3,5-diphenylphenyl)phenyl]-9,9-dimethylfluorene;4-[3-[3-cyclododecyl-5-(3,5-diphenylphenyl)phenyl]phenyl]-9,9-dimethylfluorene;2-[3-[3-(3,5-diphenylphenyl)-5-(5-phenylcyclododecyl)phenyl]phenyl]-9,9-dimethylfluorene?
The InChIKey is ONMVJEWCDJNNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H60.C57H56.C51H52/c1-63(2)61-34-18-17-33-59(61)60-36-35-52(44-62(60)63)50-31-20-32-51(37-50)56-39-55(49-24-10-5-3-4-9-21-46(29-19-30-49)45-22-11-6-12-23-45)42-58(43-56)57-40-53(47-25-13-7-14-26-47)38-54(41-57)48-27-15-8-16-28-48;1-57(2)54-32-19-18-30-53(54)56-52(31-21-33-55(56)57)45-29-20-28-44(34-45)49-36-48(41-22-12-8-6-4-3-5-7-9-13-23-41)39-51(40-49)50-37-46(42-24-14-10-15-25-42)35-47(38-50)43-26-16-11-17-27-43;1-51(2)49-27-19-18-26-47(49)48-29-28-40(36-50(48)51)44-31-43(37-20-12-8-6-4-3-5-7-9-13-21-37)34-46(35-44)45-32-41(38-22-14-10-15-23-38)30-42(33-45)39-24-16-11-17-25-39/h6-8,11-18,20,22-23,25-28,31-44,46,49H,3-5,9-10,19,21,24,29-30H2,1-2H3;10-11,14-21,24-41H,3-9,12-13,22-23H2,1-2H3;10-11,14-19,22-37H,3-9,12-13,20-21H2,1-2H3.
What are the key properties of 2-[3-cyclododecyl-5-(3,5-diphenylphenyl)phenyl]-9,9-dimethylfluorene;4-[3-[3-cyclododecyl-5-(3,5-diphenylphenyl)phenyl]phenyl]-9,9-dimethylfluorene;2-[3-[3-(3,5-diphenylphenyl)-5-(5-phenylcyclododecyl)phenyl]phenyl]-9,9-dimethylfluorene?
2-[3-cyclododecyl-5-(3,5-diphenylphenyl)phenyl]-9,9-dimethylfluorene;4-[3-[3-cyclododecyl-5-(3,5-diphenylphenyl)phenyl]phenyl]-9,9-dimethylfluorene;2-[3-[3-(3,5-diphenylphenyl)-5-(5-phenylcyclododecyl)phenyl]phenyl]-9,9-dimethylfluorene has a molecular weight of 2223.22 g/mol, XLogP of 49.88, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-cyclododecyl-5-(3,5-diphenylphenyl)phenyl]-9,9-dimethylfluorene;4-[3-[3-cyclododecyl-5-(3,5-diphenylphenyl)phenyl]phenyl]-9,9-dimethylfluorene;2-[3-[3-(3,5-diphenylphenyl)-5-(5-phenylcyclododecyl)phenyl]phenyl]-9,9-dimethylfluorene is sourced from PubChem (CID 167636359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).