9-(3-tert-butylphenyl)-N-[9-(3-tert-butylphenyl)-9-phenylfluoren-2-yl]-N,9-diphenylfluoren-2-amine

C64H55N — CID 177067246

IUPAC9-(3-tert-butylphenyl)-N-[9-(3-tert-butylphenyl)-9-phenylfluoren-2-yl]-N,9-diphenylfluoren-2-amine
SMILESCC(C)(C)c1cccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccccc4)c4ccc5c(c4)C(c4ccccc4)(c4cccc(C(C)(C)C)c4)c4ccccc4-5)cc32)c1
InChIInChI=1S/C64H55N/c1-61(2,3)46-26-20-28-48(40-46)63(44-22-10-7-11-23-44)57-34-18-16-32-53(57)55-38-36-51(42-59(55)63)65(50-30-14-9-15-31-50)52-37-39-56-54-33-17-19-35-58(54)64(60(56)43-52,45-24-12-8-13-25-45)49-29-21-27-47(41-49)62(4,5)6/h7-43H,1-6H3
InChIKeyOQRBMNXQUQIFGD-UHFFFAOYSA-N
MW838.15 g/mol
LogP16.48
Rot. Bonds7

About 9-(3-tert-butylphenyl)-N-[9-(3-tert-butylphenyl)-9-phenylfluoren-2-yl]-N,9-diphenylfluoren-2-amine

9-(3-tert-butylphenyl)-N-[9-(3-tert-butylphenyl)-9-phenylfluoren-2-yl]-N,9-diphenylfluoren-2-amine (PubChem CID 177067246) has the molecular formula C64H55N and a molecular weight of 838.15 g/mol. Its IUPAC name is 9-(3-tert-butylphenyl)-N-[9-(3-tert-butylphenyl)-9-phenylfluoren-2-yl]-N,9-diphenylfluoren-2-amine.

Molecular Properties

Compound Name9-(3-tert-butylphenyl)-N-[9-(3-tert-butylphenyl)-9-phenylfluoren-2-yl]-N,9-diphenylfluoren-2-amine
PubChem CID177067246
Molecular FormulaC64H55N
Molecular Weight838.15 g/mol
Exact Mass837.43
IUPAC Name9-(3-tert-butylphenyl)-N-[9-(3-tert-butylphenyl)-9-phenylfluoren-2-yl]-N,9-diphenylfluoren-2-amine
SMILESCC(C)(C)c1cccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccccc4)c4ccc5c(c4)C(c4ccccc4)(c4cccc(C(C)(C)C)c4)c4ccccc4-5)cc32)c1
InChIInChI=1S/C64H55N/c1-61(2,3)46-26-20-28-48(40-46)63(44-22-10-7-11-23-44)57-34-18-16-32-53(57)55-38-36-51(42-59(55)63)65(50-30-14-9-15-31-50)52-37-39-56-54-33-17-19-35-58(54)64(60(56)43-52,45-24-12-8-13-25-45)49-29-21-27-47(41-49)62(4,5)6/h7-43H,1-6H3
InChIKeyOQRBMNXQUQIFGD-UHFFFAOYSA-N
XLogP16.48
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500838.15
LogP ≤ 516.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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
N-[9,9-bis(3-tert-butylphenyl)fluoren-1-yl]-2-tert-butyl-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
CID 177067110
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
1-N,3-N,5-N-tris(9,9-diphenylfluoren-2-yl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 132601190
9,9-bis(4-tert-butylphenyl)-N-[9-(3,5-dimethylphenyl)-9-phenylfluoren-2-yl]-N-phenylfluoren-2-amine
CID 177067384
6-tert-butyl-9,9-bis(4-tert-butylphenyl)-N-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)fluoren-2-amine
CID 176622694
2-tert-butyl-N-[9-(3-pentylphenyl)-9-phenylfluoren-2-yl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
CID 177067054
N-[9,9-bis(4-tert-butylphenyl)fluoren-2-yl]-2-tert-butyl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 177067157
N-[9,9-bis(4-tert-butylphenyl)fluoren-2-yl]-2,7,7'-tritert-butyl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 177066973
2',7'-ditert-butyl-N,N-bis(9,9-diphenylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 174284062
N-[9-(4-tert-butylphenyl)-9-phenylfluoren-2-yl]-2',7'-diethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 177067096

Frequently Asked Questions

What is the IUPAC name of 9-(3-tert-butylphenyl)-N-[9-(3-tert-butylphenyl)-9-phenylfluoren-2-yl]-N,9-diphenylfluoren-2-amine?
The IUPAC name of 9-(3-tert-butylphenyl)-N-[9-(3-tert-butylphenyl)-9-phenylfluoren-2-yl]-N,9-diphenylfluoren-2-amine (CID 177067246) is 9-(3-tert-butylphenyl)-N-[9-(3-tert-butylphenyl)-9-phenylfluoren-2-yl]-N,9-diphenylfluoren-2-amine.
What is the SMILES notation for 9-(3-tert-butylphenyl)-N-[9-(3-tert-butylphenyl)-9-phenylfluoren-2-yl]-N,9-diphenylfluoren-2-amine?
The canonical SMILES for 9-(3-tert-butylphenyl)-N-[9-(3-tert-butylphenyl)-9-phenylfluoren-2-yl]-N,9-diphenylfluoren-2-amine is CC(C)(C)c1cccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccccc4)c4ccc5c(c4)C(c4ccccc4)(c4cccc(C(C)(C)C)c4)c4ccccc4-5)cc32)c1.
What is the InChIKey of 9-(3-tert-butylphenyl)-N-[9-(3-tert-butylphenyl)-9-phenylfluoren-2-yl]-N,9-diphenylfluoren-2-amine?
The InChIKey is OQRBMNXQUQIFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H55N/c1-61(2,3)46-26-20-28-48(40-46)63(44-22-10-7-11-23-44)57-34-18-16-32-53(57)55-38-36-51(42-59(55)63)65(50-30-14-9-15-31-50)52-37-39-56-54-33-17-19-35-58(54)64(60(56)43-52,45-24-12-8-13-25-45)49-29-21-27-47(41-49)62(4,5)6/h7-43H,1-6H3.
What are the key properties of 9-(3-tert-butylphenyl)-N-[9-(3-tert-butylphenyl)-9-phenylfluoren-2-yl]-N,9-diphenylfluoren-2-amine?
9-(3-tert-butylphenyl)-N-[9-(3-tert-butylphenyl)-9-phenylfluoren-2-yl]-N,9-diphenylfluoren-2-amine has a molecular weight of 838.15 g/mol, XLogP of 16.48, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-tert-butylphenyl)-N-[9-(3-tert-butylphenyl)-9-phenylfluoren-2-yl]-N,9-diphenylfluoren-2-amine is sourced from PubChem (CID 177067246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).