2-tert-butyl-N-[9-(3-pentylphenyl)-9-phenylfluoren-2-yl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine

C65H55N — CID 177067054

IUPAC2-tert-butyl-N-[9-(3-pentylphenyl)-9-phenylfluoren-2-yl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
SMILESCCCCCc1cccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccccc4)c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5-c5ccc(C(C)(C)C)cc54)cc32)c1
InChIInChI=1S/C65H55N/c1-5-6-9-21-44-22-20-25-47(40-44)64(45-23-10-7-11-24-45)57-31-17-14-28-51(57)55-38-35-49(42-61(55)64)66(48-26-12-8-13-27-48)50-36-39-56-53-30-16-19-33-59(53)65(62(56)43-50)58-32-18-15-29-52(58)54-37-34-46(41-60(54)65)63(2,3)4/h7-8,10-20,22-43H,5-6,9,21H2,1-4H3
InChIKeyOXQQGBVADSNDHU-UHFFFAOYSA-N
MW850.16 g/mol
LogP16.89
Rot. Bonds9

About 2-tert-butyl-N-[9-(3-pentylphenyl)-9-phenylfluoren-2-yl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine

2-tert-butyl-N-[9-(3-pentylphenyl)-9-phenylfluoren-2-yl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine (PubChem CID 177067054) has the molecular formula C65H55N and a molecular weight of 850.16 g/mol. Its IUPAC name is 2-tert-butyl-N-[9-(3-pentylphenyl)-9-phenylfluoren-2-yl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine.

Molecular Properties

Compound Name2-tert-butyl-N-[9-(3-pentylphenyl)-9-phenylfluoren-2-yl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
PubChem CID177067054
Molecular FormulaC65H55N
Molecular Weight850.16 g/mol
Exact Mass849.43
IUPAC Name2-tert-butyl-N-[9-(3-pentylphenyl)-9-phenylfluoren-2-yl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
SMILESCCCCCc1cccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccccc4)c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5-c5ccc(C(C)(C)C)cc54)cc32)c1
InChIInChI=1S/C65H55N/c1-5-6-9-21-44-22-20-25-47(40-44)64(45-23-10-7-11-24-45)57-31-17-14-28-51(57)55-38-35-49(42-61(55)64)66(48-26-12-8-13-27-48)50-36-39-56-53-30-16-19-33-59(53)65(62(56)43-50)58-32-18-15-29-52(58)54-37-34-46(41-60(54)65)63(2,3)4/h7-8,10-20,22-43H,5-6,9,21H2,1-4H3
InChIKeyOXQQGBVADSNDHU-UHFFFAOYSA-N
XLogP16.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500850.16
LogP ≤ 516.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N-bis(4-octylphenyl)-9,9-diphenylfluoren-2-amine
CID 139762426
9-(3-tert-butylphenyl)-N-[9-(3-tert-butylphenyl)-9-phenylfluoren-2-yl]-N,9-diphenylfluoren-2-amine
CID 177067246
N-[9-(4-tert-butylphenyl)-9-phenylfluoren-2-yl]-2',7'-diethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 177067096
N-(4-hexylphenyl)-9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-2-yl]-9-phenylfluoren-2-amine
CID 177067093
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-[9,9-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
9,9-bis(4-tert-butylphenyl)-N-[9-(3,5-dimethylphenyl)-9-phenylfluoren-2-yl]-N-phenylfluoren-2-amine
CID 177067384
2-N'-[4-[4-(N-[2,7-ditert-butyl-7'-(N-phenylanilino)-9,9'-spirobi[fluorene]-2'-yl]anilino)phenyl]phenyl]-2-N,2-N,2-N',7-N,7-N,7-N',7-N'-heptakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 130271595

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[9-(3-pentylphenyl)-9-phenylfluoren-2-yl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine?
The IUPAC name of 2-tert-butyl-N-[9-(3-pentylphenyl)-9-phenylfluoren-2-yl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine (CID 177067054) is 2-tert-butyl-N-[9-(3-pentylphenyl)-9-phenylfluoren-2-yl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine.
What is the SMILES notation for 2-tert-butyl-N-[9-(3-pentylphenyl)-9-phenylfluoren-2-yl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine?
The canonical SMILES for 2-tert-butyl-N-[9-(3-pentylphenyl)-9-phenylfluoren-2-yl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine is CCCCCc1cccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccccc4)c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5-c5ccc(C(C)(C)C)cc54)cc32)c1.
What is the InChIKey of 2-tert-butyl-N-[9-(3-pentylphenyl)-9-phenylfluoren-2-yl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine?
The InChIKey is OXQQGBVADSNDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H55N/c1-5-6-9-21-44-22-20-25-47(40-44)64(45-23-10-7-11-24-45)57-31-17-14-28-51(57)55-38-35-49(42-61(55)64)66(48-26-12-8-13-27-48)50-36-39-56-53-30-16-19-33-59(53)65(62(56)43-50)58-32-18-15-29-52(58)54-37-34-46(41-60(54)65)63(2,3)4/h7-8,10-20,22-43H,5-6,9,21H2,1-4H3.
What are the key properties of 2-tert-butyl-N-[9-(3-pentylphenyl)-9-phenylfluoren-2-yl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine?
2-tert-butyl-N-[9-(3-pentylphenyl)-9-phenylfluoren-2-yl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine has a molecular weight of 850.16 g/mol, XLogP of 16.89, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[9-(3-pentylphenyl)-9-phenylfluoren-2-yl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine is sourced from PubChem (CID 177067054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).