N-[9-(3-tert-butylphenyl)-9-phenylfluoren-2-yl]-N-(2,5-dimethyl-3-phenylphenyl)-9-(4-methylphenyl)-9-phenylfluoren-2-amine

C69H57N — CID 177067327

IUPACN-[9-(3-tert-butylphenyl)-9-phenylfluoren-2-yl]-N-(2,5-dimethyl-3-phenylphenyl)-9-(4-methylphenyl)-9-phenylfluoren-2-amine
SMILESCc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc5c(c4)C(c4ccccc4)(c4cccc(C(C)(C)C)c4)c4ccccc4-5)c4cc(C)cc(-c5ccccc5)c4C)cc32)cc1
InChIInChI=1S/C69H57N/c1-46-33-35-52(36-34-46)68(50-23-12-8-13-24-50)62-31-18-16-29-57(62)59-39-37-55(44-64(59)68)70(66-42-47(2)41-61(48(66)3)49-21-10-7-11-22-49)56-38-40-60-58-30-17-19-32-63(58)69(65(60)45-56,51-25-14-9-15-26-51)54-28-20-27-53(43-54)67(4,5)6/h7-45H,1-6H3
InChIKeyOZQKUSLNVWHVKQ-UHFFFAOYSA-N
MW900.22 g/mol
LogP17.77
Rot. Bonds8

About N-[9-(3-tert-butylphenyl)-9-phenylfluoren-2-yl]-N-(2,5-dimethyl-3-phenylphenyl)-9-(4-methylphenyl)-9-phenylfluoren-2-amine

N-[9-(3-tert-butylphenyl)-9-phenylfluoren-2-yl]-N-(2,5-dimethyl-3-phenylphenyl)-9-(4-methylphenyl)-9-phenylfluoren-2-amine (PubChem CID 177067327) has the molecular formula C69H57N and a molecular weight of 900.22 g/mol. Its IUPAC name is N-[9-(3-tert-butylphenyl)-9-phenylfluoren-2-yl]-N-(2,5-dimethyl-3-phenylphenyl)-9-(4-methylphenyl)-9-phenylfluoren-2-amine.

Molecular Properties

Compound NameN-[9-(3-tert-butylphenyl)-9-phenylfluoren-2-yl]-N-(2,5-dimethyl-3-phenylphenyl)-9-(4-methylphenyl)-9-phenylfluoren-2-amine
PubChem CID177067327
Molecular FormulaC69H57N
Molecular Weight900.22 g/mol
Exact Mass899.45
IUPAC NameN-[9-(3-tert-butylphenyl)-9-phenylfluoren-2-yl]-N-(2,5-dimethyl-3-phenylphenyl)-9-(4-methylphenyl)-9-phenylfluoren-2-amine
SMILESCc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc5c(c4)C(c4ccccc4)(c4cccc(C(C)(C)C)c4)c4ccccc4-5)c4cc(C)cc(-c5ccccc5)c4C)cc32)cc1
InChIInChI=1S/C69H57N/c1-46-33-35-52(36-34-46)68(50-23-12-8-13-24-50)62-31-18-16-29-57(62)59-39-37-55(44-64(59)68)70(66-42-47(2)41-61(48(66)3)49-21-10-7-11-22-49)56-38-40-60-58-30-17-19-32-63(58)69(65(60)45-56,51-25-14-9-15-26-51)54-28-20-27-53(43-54)67(4,5)6/h7-45H,1-6H3
InChIKeyOZQKUSLNVWHVKQ-UHFFFAOYSA-N
XLogP17.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500900.22
LogP ≤ 517.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(4-tert-butylphenyl)phenyl]-9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-(4-phenylphenyl)fluoren-2-yl]-9-phenylfluoren-1-amine
CID 177066968
9-(3-tert-butylphenyl)-N-[9-(3-tert-butylphenyl)-9-phenylfluoren-2-yl]-N,9-diphenylfluoren-2-amine
CID 177067246
2-tert-butyl-N-[9-(4-methylphenyl)-9-phenylfluoren-2-yl]-N-(4-naphthalen-1-ylnaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 177067289
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-methylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 121381203
N-[9,9-bis(4-methylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 118298195
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
2,7-ditert-butyl-9-(3-tert-butylphenyl)-9-(4-tert-butylphenyl)-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)fluoren-4-amine
CID 177067762
N-[9,9-bis(3-tert-butylphenyl)fluoren-2-yl]-9-methyl-N-(9-methyl-9-phenylfluoren-2-yl)-9-phenylfluoren-2-amine
CID 171453113
9,9-diphenyl-7-(9-phenylfluoren-9-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 140919853
9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-3-yl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 177067075
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

Frequently Asked Questions

What is the IUPAC name of N-[9-(3-tert-butylphenyl)-9-phenylfluoren-2-yl]-N-(2,5-dimethyl-3-phenylphenyl)-9-(4-methylphenyl)-9-phenylfluoren-2-amine?
The IUPAC name of N-[9-(3-tert-butylphenyl)-9-phenylfluoren-2-yl]-N-(2,5-dimethyl-3-phenylphenyl)-9-(4-methylphenyl)-9-phenylfluoren-2-amine (CID 177067327) is N-[9-(3-tert-butylphenyl)-9-phenylfluoren-2-yl]-N-(2,5-dimethyl-3-phenylphenyl)-9-(4-methylphenyl)-9-phenylfluoren-2-amine.
What is the SMILES notation for N-[9-(3-tert-butylphenyl)-9-phenylfluoren-2-yl]-N-(2,5-dimethyl-3-phenylphenyl)-9-(4-methylphenyl)-9-phenylfluoren-2-amine?
The canonical SMILES for N-[9-(3-tert-butylphenyl)-9-phenylfluoren-2-yl]-N-(2,5-dimethyl-3-phenylphenyl)-9-(4-methylphenyl)-9-phenylfluoren-2-amine is Cc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc5c(c4)C(c4ccccc4)(c4cccc(C(C)(C)C)c4)c4ccccc4-5)c4cc(C)cc(-c5ccccc5)c4C)cc32)cc1.
What is the InChIKey of N-[9-(3-tert-butylphenyl)-9-phenylfluoren-2-yl]-N-(2,5-dimethyl-3-phenylphenyl)-9-(4-methylphenyl)-9-phenylfluoren-2-amine?
The InChIKey is OZQKUSLNVWHVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H57N/c1-46-33-35-52(36-34-46)68(50-23-12-8-13-24-50)62-31-18-16-29-57(62)59-39-37-55(44-64(59)68)70(66-42-47(2)41-61(48(66)3)49-21-10-7-11-22-49)56-38-40-60-58-30-17-19-32-63(58)69(65(60)45-56,51-25-14-9-15-26-51)54-28-20-27-53(43-54)67(4,5)6/h7-45H,1-6H3.
What are the key properties of N-[9-(3-tert-butylphenyl)-9-phenylfluoren-2-yl]-N-(2,5-dimethyl-3-phenylphenyl)-9-(4-methylphenyl)-9-phenylfluoren-2-amine?
N-[9-(3-tert-butylphenyl)-9-phenylfluoren-2-yl]-N-(2,5-dimethyl-3-phenylphenyl)-9-(4-methylphenyl)-9-phenylfluoren-2-amine has a molecular weight of 900.22 g/mol, XLogP of 17.77, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9-(3-tert-butylphenyl)-9-phenylfluoren-2-yl]-N-(2,5-dimethyl-3-phenylphenyl)-9-(4-methylphenyl)-9-phenylfluoren-2-amine is sourced from PubChem (CID 177067327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).