2',7'-difluoro-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4'-amine;2',7'-dimethyl-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(9,9-dimethylfluoren-2-yl)-2',7'-difluoro-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine

C152H103F4N3 — CID 158098032

IUPAC2',7'-difluoro-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4'-amine;2',7'-dimethyl-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(9,9-dimethylfluoren-2-yl)-2',7'-difluoro-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3-c3ccccc3C43c4cc(F)ccc4-c4ccc(F)cc43)cc21.Cc1ccc2c(c1)C1(c3cc(C)ccc3-2)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cccc21.Fc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(F)cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)c1-2
InChIInChI=1S/C52H35F2N.C51H37N.C49H31F2N/c1-51(2)43-15-8-6-13-38(43)39-28-25-37(31-46(39)51)55(36-23-19-33(20-24-36)32-11-4-3-5-12-32)49-18-10-17-45-50(49)42-14-7-9-16-44(42)52(45)47-29-34(53)21-26-40(47)41-27-22-35(54)30-48(41)52;1-34-20-30-42-43-31-21-35(2)33-48(43)51(47(42)32-34)45-17-10-9-16-44(45)50-46(51)18-11-19-49(50)52(40-26-22-38(23-27-40)36-12-5-3-6-13-36)41-28-24-39(25-29-41)37-14-7-4-8-15-37;50-36-23-28-42-45(29-36)49(43-17-9-7-15-40(43)41-16-8-10-18-44(41)49)46-30-37(51)31-47(48(42)46)52(38-24-19-34(20-25-38)32-11-3-1-4-12-32)39-26-21-35(22-27-39)33-13-5-2-6-14-33/h3-31H,1-2H3;3-33H,1-2H3;1-31H
InChIKeyFOXDYKUTEDPRKT-UHFFFAOYSA-N
MW2047.51 g/mol
LogP40.31
Rot. Bonds14

About 2',7'-difluoro-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4'-amine;2',7'-dimethyl-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(9,9-dimethylfluoren-2-yl)-2',7'-difluoro-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine

2',7'-difluoro-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4'-amine;2',7'-dimethyl-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(9,9-dimethylfluoren-2-yl)-2',7'-difluoro-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine (PubChem CID 158098032) has the molecular formula C152H103F4N3 and a molecular weight of 2047.51 g/mol. Its IUPAC name is 2',7'-difluoro-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4'-amine;2',7'-dimethyl-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(9,9-dimethylfluoren-2-yl)-2',7'-difluoro-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine.

Molecular Properties

Compound Name2',7'-difluoro-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4'-amine;2',7'-dimethyl-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(9,9-dimethylfluoren-2-yl)-2',7'-difluoro-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
PubChem CID158098032
Molecular FormulaC152H103F4N3
Molecular Weight2047.51 g/mol
Exact Mass2045.81
IUPAC Name2',7'-difluoro-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4'-amine;2',7'-dimethyl-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(9,9-dimethylfluoren-2-yl)-2',7'-difluoro-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3-c3ccccc3C43c4cc(F)ccc4-c4ccc(F)cc43)cc21.Cc1ccc2c(c1)C1(c3cc(C)ccc3-2)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cccc21.Fc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(F)cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)c1-2
InChIInChI=1S/C52H35F2N.C51H37N.C49H31F2N/c1-51(2)43-15-8-6-13-38(43)39-28-25-37(31-46(39)51)55(36-23-19-33(20-24-36)32-11-4-3-5-12-32)49-18-10-17-45-50(49)42-14-7-9-16-44(42)52(45)47-29-34(53)21-26-40(47)41-27-22-35(54)30-48(41)52;1-34-20-30-42-43-31-21-35(2)33-48(43)51(47(42)32-34)45-17-10-9-16-44(45)50-46(51)18-11-19-49(50)52(40-26-22-38(23-27-40)36-12-5-3-6-13-36)41-28-24-39(25-29-41)37-14-7-4-8-15-37;50-36-23-28-42-45(29-36)49(43-17-9-7-15-40(43)41-16-8-10-18-44(41)49)46-30-37(51)31-47(48(42)46)52(38-24-19-34(20-25-38)32-11-3-1-4-12-32)39-26-21-35(22-27-39)33-13-5-2-6-14-33/h3-31H,1-2H3;3-33H,1-2H3;1-31H
InChIKeyFOXDYKUTEDPRKT-UHFFFAOYSA-N
XLogP40.31
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms159
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002047.51
LogP ≤ 540.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2',7'-difluoro-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4'-amine;2',7'-dimethyl-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(9,9-dimethylfluoren-2-yl)-2',7'-difluoro-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-[4-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 167177057
N-(9,9-dimethylfluoren-2-yl)-2',7'-dimethyl-5-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 154588670
N-(9,9-dimethylfluoren-2-yl)-2-methyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 118298490
2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 153307449
7-chloro-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 154588610
N-(9,9-dimethylfluoren-2-yl)-7'-fluoro-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine;N-(9,9-dimethylfluoren-2-yl)-7'-fluoro-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine;N-(9,9-dimethylfluoren-2-yl)-7'-phenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine;N-(9,9-dimethylfluoren-2-yl)-7'-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 158671722
2-N'-(9,9-dimethylfluoren-2-yl)-2-N'-phenyl-4-N-(2-phenylphenyl)-4-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915496
N-(9,9-dimethylfluoren-2-yl)-N-[3-phenyl-4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 129267147
2-N,5-N-bis(9,9-dimethylfluoren-2-yl)-2-N,5-N-diphenyl-9,9'-spirobi[fluorene]-2,5-diamine
CID 137448787
N-(4-methylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 121285757
N-(9,9-dimethylfluoren-2-yl)-4'-(2,4-diphenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129258891
7'-methyl-2'-methyl-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 123227044

Frequently Asked Questions

What is the IUPAC name of 2',7'-difluoro-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4'-amine;2',7'-dimethyl-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(9,9-dimethylfluoren-2-yl)-2',7'-difluoro-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine?
The IUPAC name of 2',7'-difluoro-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4'-amine;2',7'-dimethyl-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(9,9-dimethylfluoren-2-yl)-2',7'-difluoro-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine (CID 158098032) is 2',7'-difluoro-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4'-amine;2',7'-dimethyl-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(9,9-dimethylfluoren-2-yl)-2',7'-difluoro-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine.
What is the SMILES notation for 2',7'-difluoro-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4'-amine;2',7'-dimethyl-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(9,9-dimethylfluoren-2-yl)-2',7'-difluoro-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine?
The canonical SMILES for 2',7'-difluoro-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4'-amine;2',7'-dimethyl-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(9,9-dimethylfluoren-2-yl)-2',7'-difluoro-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3-c3ccccc3C43c4cc(F)ccc4-c4ccc(F)cc43)cc21.Cc1ccc2c(c1)C1(c3cc(C)ccc3-2)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cccc21.Fc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(F)cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)c1-2.
What is the InChIKey of 2',7'-difluoro-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4'-amine;2',7'-dimethyl-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(9,9-dimethylfluoren-2-yl)-2',7'-difluoro-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine?
The InChIKey is FOXDYKUTEDPRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35F2N.C51H37N.C49H31F2N/c1-51(2)43-15-8-6-13-38(43)39-28-25-37(31-46(39)51)55(36-23-19-33(20-24-36)32-11-4-3-5-12-32)49-18-10-17-45-50(49)42-14-7-9-16-44(42)52(45)47-29-34(53)21-26-40(47)41-27-22-35(54)30-48(41)52;1-34-20-30-42-43-31-21-35(2)33-48(43)51(47(42)32-34)45-17-10-9-16-44(45)50-46(51)18-11-19-49(50)52(40-26-22-38(23-27-40)36-12-5-3-6-13-36)41-28-24-39(25-29-41)37-14-7-4-8-15-37;50-36-23-28-42-45(29-36)49(43-17-9-7-15-40(43)41-16-8-10-18-44(41)49)46-30-37(51)31-47(48(42)46)52(38-24-19-34(20-25-38)32-11-3-1-4-12-32)39-26-21-35(22-27-39)33-13-5-2-6-14-33/h3-31H,1-2H3;3-33H,1-2H3;1-31H.
What are the key properties of 2',7'-difluoro-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4'-amine;2',7'-dimethyl-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(9,9-dimethylfluoren-2-yl)-2',7'-difluoro-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine?
2',7'-difluoro-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4'-amine;2',7'-dimethyl-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(9,9-dimethylfluoren-2-yl)-2',7'-difluoro-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine has a molecular weight of 2047.51 g/mol, XLogP of 40.31, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2',7'-difluoro-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4'-amine;2',7'-dimethyl-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(9,9-dimethylfluoren-2-yl)-2',7'-difluoro-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine is sourced from PubChem (CID 158098032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).