9,9-bis(4-tert-butylphenyl)-N-[9-(3,5-dimethylphenyl)-9-phenylfluoren-2-yl]-N-phenylfluoren-2-amine

C66H59N — CID 177067384

IUPAC9,9-bis(4-tert-butylphenyl)-N-[9-(3,5-dimethylphenyl)-9-phenylfluoren-2-yl]-N-phenylfluoren-2-amine
SMILESCc1cc(C)cc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccccc4)c4ccc5c(c4)C(c4ccc(C(C)(C)C)cc4)(c4ccc(C(C)(C)C)cc4)c4ccccc4-5)cc32)c1
InChIInChI=1S/C66H59N/c1-44-39-45(2)41-51(40-44)66(48-19-11-9-12-20-48)60-26-18-16-24-56(60)58-38-36-54(43-62(58)66)67(52-21-13-10-14-22-52)53-35-37-57-55-23-15-17-25-59(55)65(61(57)42-53,49-31-27-46(28-32-49)63(3,4)5)50-33-29-47(30-34-50)64(6,7)8/h9-43H,1-8H3
InChIKeyDZEPQPCJIIMSFM-UHFFFAOYSA-N
MW866.20 g/mol
LogP17.09
Rot. Bonds7

About 9,9-bis(4-tert-butylphenyl)-N-[9-(3,5-dimethylphenyl)-9-phenylfluoren-2-yl]-N-phenylfluoren-2-amine

9,9-bis(4-tert-butylphenyl)-N-[9-(3,5-dimethylphenyl)-9-phenylfluoren-2-yl]-N-phenylfluoren-2-amine (PubChem CID 177067384) has the molecular formula C66H59N and a molecular weight of 866.20 g/mol. Its IUPAC name is 9,9-bis(4-tert-butylphenyl)-N-[9-(3,5-dimethylphenyl)-9-phenylfluoren-2-yl]-N-phenylfluoren-2-amine.

Molecular Properties

Compound Name9,9-bis(4-tert-butylphenyl)-N-[9-(3,5-dimethylphenyl)-9-phenylfluoren-2-yl]-N-phenylfluoren-2-amine
PubChem CID177067384
Molecular FormulaC66H59N
Molecular Weight866.20 g/mol
Exact Mass865.46
IUPAC Name9,9-bis(4-tert-butylphenyl)-N-[9-(3,5-dimethylphenyl)-9-phenylfluoren-2-yl]-N-phenylfluoren-2-amine
SMILESCc1cc(C)cc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccccc4)c4ccc5c(c4)C(c4ccc(C(C)(C)C)cc4)(c4ccc(C(C)(C)C)cc4)c4ccccc4-5)cc32)c1
InChIInChI=1S/C66H59N/c1-44-39-45(2)41-51(40-44)66(48-19-11-9-12-20-48)60-26-18-16-24-56(60)58-38-36-54(43-62(58)66)67(52-21-13-10-14-22-52)53-35-37-57-55-23-15-17-25-59(55)65(61(57)42-53,49-31-27-46(28-32-49)63(3,4)5)50-33-29-47(30-34-50)64(6,7)8/h9-43H,1-8H3
InChIKeyDZEPQPCJIIMSFM-UHFFFAOYSA-N
XLogP17.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500866.20
LogP ≤ 517.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-(4-tert-butylphenyl)-N-[9-(4-tert-butylphenyl)-9-(4-fluorophenyl)fluoren-2-yl]-N,9-diphenylfluoren-2-amine
CID 177067286
9-(4-tert-butylphenyl)-N-[9-(4-tert-butylphenyl)-9-phenylfluoren-2-yl]-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 177067003
N-(4-tert-butylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine;N-(4-fluorophenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine;N-(4-methylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 162199344
9-(4-tert-butylphenyl)-N-[9-(4-tert-butylphenyl)-9-phenylfluoren-2-yl]-N-[4-(3,5-dimethylphenyl)-3,5-dimethylphenyl]-9-phenylfluoren-2-amine
CID 177067004
9,9-bis(4-tert-butylphenyl)-N-[9-[3,5-di(propan-2-yl)phenyl]-9-phenylfluoren-2-yl]-N-phenylfluoren-2-amine
CID 177067292
N-[9-(4-tert-butylphenyl)-9-phenylfluoren-2-yl]-2',7'-diethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 177067096
N-(4-methylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 121381203
N-[9,9-bis(4-tert-butylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[9,9-bis(4-methylphenyl)fluoren-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-[9,9-bis(4-methylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[9,9-bis(4-phenylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 158846091
6-tert-butyl-9,9-bis(4-tert-butylphenyl)-N-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)fluoren-2-amine
CID 176622694
9-(3-tert-butylphenyl)-N-[9-(3-tert-butylphenyl)-9-phenylfluoren-2-yl]-N,9-diphenylfluoren-2-amine
CID 177067246
2-N',7-N'-bis(4-tert-butylphenyl)-2-N',7-N'-bis(3-methylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine
CID 153485901
N-[9,9-bis(4-tert-butylphenyl)fluoren-3-yl]-9-methyl-N-(9-methyl-9-phenylfluoren-2-yl)-9-phenylfluoren-2-amine
CID 171453091

Frequently Asked Questions

What is the IUPAC name of 9,9-bis(4-tert-butylphenyl)-N-[9-(3,5-dimethylphenyl)-9-phenylfluoren-2-yl]-N-phenylfluoren-2-amine?
The IUPAC name of 9,9-bis(4-tert-butylphenyl)-N-[9-(3,5-dimethylphenyl)-9-phenylfluoren-2-yl]-N-phenylfluoren-2-amine (CID 177067384) is 9,9-bis(4-tert-butylphenyl)-N-[9-(3,5-dimethylphenyl)-9-phenylfluoren-2-yl]-N-phenylfluoren-2-amine.
What is the SMILES notation for 9,9-bis(4-tert-butylphenyl)-N-[9-(3,5-dimethylphenyl)-9-phenylfluoren-2-yl]-N-phenylfluoren-2-amine?
The canonical SMILES for 9,9-bis(4-tert-butylphenyl)-N-[9-(3,5-dimethylphenyl)-9-phenylfluoren-2-yl]-N-phenylfluoren-2-amine is Cc1cc(C)cc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccccc4)c4ccc5c(c4)C(c4ccc(C(C)(C)C)cc4)(c4ccc(C(C)(C)C)cc4)c4ccccc4-5)cc32)c1.
What is the InChIKey of 9,9-bis(4-tert-butylphenyl)-N-[9-(3,5-dimethylphenyl)-9-phenylfluoren-2-yl]-N-phenylfluoren-2-amine?
The InChIKey is DZEPQPCJIIMSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H59N/c1-44-39-45(2)41-51(40-44)66(48-19-11-9-12-20-48)60-26-18-16-24-56(60)58-38-36-54(43-62(58)66)67(52-21-13-10-14-22-52)53-35-37-57-55-23-15-17-25-59(55)65(61(57)42-53,49-31-27-46(28-32-49)63(3,4)5)50-33-29-47(30-34-50)64(6,7)8/h9-43H,1-8H3.
What are the key properties of 9,9-bis(4-tert-butylphenyl)-N-[9-(3,5-dimethylphenyl)-9-phenylfluoren-2-yl]-N-phenylfluoren-2-amine?
9,9-bis(4-tert-butylphenyl)-N-[9-(3,5-dimethylphenyl)-9-phenylfluoren-2-yl]-N-phenylfluoren-2-amine has a molecular weight of 866.20 g/mol, XLogP of 17.09, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis(4-tert-butylphenyl)-N-[9-(3,5-dimethylphenyl)-9-phenylfluoren-2-yl]-N-phenylfluoren-2-amine is sourced from PubChem (CID 177067384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).