N-[9-(4-tert-butylphenyl)-9-phenylfluoren-2-yl]-2',7'-diethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine

C64H53N — CID 177067096

IUPACN-[9-(4-tert-butylphenyl)-9-phenylfluoren-2-yl]-2',7'-diethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine
SMILESCCc1ccc2c(c1)C1(c3ccccc3-c3ccc(N(c4ccccc4)c4ccc5c(c4)C(c4ccccc4)(c4ccc(C(C)(C)C)cc4)c4ccccc4-5)cc31)c1cc(CC)ccc1-2
InChIInChI=1S/C64H53N/c1-6-42-26-34-52-53-35-27-43(7-2)39-59(53)64(58(52)38-42)57-25-17-15-23-51(57)55-37-33-49(41-61(55)64)65(47-20-12-9-13-21-47)48-32-36-54-50-22-14-16-24-56(50)63(60(54)40-48,45-18-10-8-11-19-45)46-30-28-44(29-31-46)62(3,4)5/h8-41H,6-7H2,1-5H3
InChIKeyVEHZJJIOMGTVSQ-UHFFFAOYSA-N
MW836.14 g/mol
LogP16.29
Rot. Bonds7

About N-[9-(4-tert-butylphenyl)-9-phenylfluoren-2-yl]-2',7'-diethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine

N-[9-(4-tert-butylphenyl)-9-phenylfluoren-2-yl]-2',7'-diethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine (PubChem CID 177067096) has the molecular formula C64H53N and a molecular weight of 836.14 g/mol. Its IUPAC name is N-[9-(4-tert-butylphenyl)-9-phenylfluoren-2-yl]-2',7'-diethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-[9-(4-tert-butylphenyl)-9-phenylfluoren-2-yl]-2',7'-diethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine
PubChem CID177067096
Molecular FormulaC64H53N
Molecular Weight836.14 g/mol
Exact Mass835.42
IUPAC NameN-[9-(4-tert-butylphenyl)-9-phenylfluoren-2-yl]-2',7'-diethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine
SMILESCCc1ccc2c(c1)C1(c3ccccc3-c3ccc(N(c4ccccc4)c4ccc5c(c4)C(c4ccccc4)(c4ccc(C(C)(C)C)cc4)c4ccccc4-5)cc31)c1cc(CC)ccc1-2
InChIInChI=1S/C64H53N/c1-6-42-26-34-52-53-35-27-43(7-2)39-59(53)64(58(52)38-42)57-25-17-15-23-51(57)55-37-33-49(41-61(55)64)65(47-20-12-9-13-21-47)48-32-36-54-50-22-14-16-24-56(50)63(60(54)40-48,45-18-10-8-11-19-45)46-30-28-44(29-31-46)62(3,4)5/h8-41H,6-7H2,1-5H3
InChIKeyVEHZJJIOMGTVSQ-UHFFFAOYSA-N
XLogP16.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500836.14
LogP ≤ 516.29
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
9,9-bis(4-tert-butylphenyl)-N-[9-(3,5-dimethylphenyl)-9-phenylfluoren-2-yl]-N-phenylfluoren-2-amine
CID 177067384
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
9-(3-tert-butylphenyl)-N-[9-(3-tert-butylphenyl)-9-phenylfluoren-2-yl]-N,9-diphenylfluoren-2-amine
CID 177067246
N-[9,9-bis(4-tert-butylphenyl)fluoren-3-yl]-9-(4-tert-butylphenyl)-N-[2-(3-ethylphenyl)phenyl]-9-phenylfluoren-2-amine
CID 177066936
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
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
[7-(N-(9,9-diphenylfluoren-2-yl)anilino)-9,9-diphenylfluoren-2-yl]methanol
CID 139983986
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

Frequently Asked Questions

What is the IUPAC name of N-[9-(4-tert-butylphenyl)-9-phenylfluoren-2-yl]-2',7'-diethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-[9-(4-tert-butylphenyl)-9-phenylfluoren-2-yl]-2',7'-diethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine (CID 177067096) is N-[9-(4-tert-butylphenyl)-9-phenylfluoren-2-yl]-2',7'-diethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-[9-(4-tert-butylphenyl)-9-phenylfluoren-2-yl]-2',7'-diethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-[9-(4-tert-butylphenyl)-9-phenylfluoren-2-yl]-2',7'-diethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine is CCc1ccc2c(c1)C1(c3ccccc3-c3ccc(N(c4ccccc4)c4ccc5c(c4)C(c4ccccc4)(c4ccc(C(C)(C)C)cc4)c4ccccc4-5)cc31)c1cc(CC)ccc1-2.
What is the InChIKey of N-[9-(4-tert-butylphenyl)-9-phenylfluoren-2-yl]-2',7'-diethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is VEHZJJIOMGTVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H53N/c1-6-42-26-34-52-53-35-27-43(7-2)39-59(53)64(58(52)38-42)57-25-17-15-23-51(57)55-37-33-49(41-61(55)64)65(47-20-12-9-13-21-47)48-32-36-54-50-22-14-16-24-56(50)63(60(54)40-48,45-18-10-8-11-19-45)46-30-28-44(29-31-46)62(3,4)5/h8-41H,6-7H2,1-5H3.
What are the key properties of N-[9-(4-tert-butylphenyl)-9-phenylfluoren-2-yl]-2',7'-diethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine?
N-[9-(4-tert-butylphenyl)-9-phenylfluoren-2-yl]-2',7'-diethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 836.14 g/mol, XLogP of 16.29, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9-(4-tert-butylphenyl)-9-phenylfluoren-2-yl]-2',7'-diethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 177067096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).