2,7-difluoro-N,N-bis(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[5,6-b][1]benzofuran]-9'-amine

C55H33F2NO — CID 121444465

IUPAC2,7-difluoro-N,N-bis(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[5,6-b][1]benzofuran]-9'-amine
SMILESFc1ccc2c(c1)C1(c3cc(F)ccc3-2)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)ccc2-c2c1ccc1c2oc2ccccc21
InChIInChI=1S/C55H33F2NO/c56-38-19-26-43-44-27-20-39(57)32-50(44)55(49(43)31-38)48-30-29-46-45-13-7-8-14-52(45)59-54(46)53(48)47-28-25-42(33-51(47)55)58(40-21-15-36(16-22-40)34-9-3-1-4-10-34)41-23-17-37(18-24-41)35-11-5-2-6-12-35/h1-33H
InChIKeyJOMKTCZVYULAID-UHFFFAOYSA-N
MW761.87 g/mol
LogP15.01
Rot. Bonds5

About 2,7-difluoro-N,N-bis(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[5,6-b][1]benzofuran]-9'-amine

2,7-difluoro-N,N-bis(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[5,6-b][1]benzofuran]-9'-amine (PubChem CID 121444465) has the molecular formula C55H33F2NO and a molecular weight of 761.87 g/mol. Its IUPAC name is 2,7-difluoro-N,N-bis(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[5,6-b][1]benzofuran]-9'-amine.

Molecular Properties

Compound Name2,7-difluoro-N,N-bis(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[5,6-b][1]benzofuran]-9'-amine
PubChem CID121444465
Molecular FormulaC55H33F2NO
Molecular Weight761.87 g/mol
Exact Mass761.25
IUPAC Name2,7-difluoro-N,N-bis(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[5,6-b][1]benzofuran]-9'-amine
SMILESFc1ccc2c(c1)C1(c3cc(F)ccc3-2)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)ccc2-c2c1ccc1c2oc2ccccc21
InChIInChI=1S/C55H33F2NO/c56-38-19-26-43-44-27-20-39(57)32-50(44)55(49(43)31-38)48-30-29-46-45-13-7-8-14-52(45)59-54(46)53(48)47-28-25-42(33-51(47)55)58(40-21-15-36(16-22-40)34-9-3-1-4-10-34)41-23-17-37(18-24-41)35-11-5-2-6-12-35/h1-33H
InChIKeyJOMKTCZVYULAID-UHFFFAOYSA-N
XLogP15.01
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500761.87
LogP ≤ 515.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,7-difluoro-N,N-bis(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[5,6-b][1]benzofuran]-9'-amine with MolForge

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Related Compounds

N,N-bis(3-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-amine;N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-amine;N-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-amine;N-phenyl-N-(3-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-amine
CID 161119301
14-phenyl-N-(4-phenylphenyl)-N-spiro[fluoreno[4,3-b][1]benzofuran-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine
CID 130462767
7,7-dimethyl-N-naphthalen-2-yl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine
CID 118405244
N-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-10-amine
CID 118405235
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene]-2-amine
CID 129087109
N-(4-dibenzofuran-4-ylphenyl)-N,2-diphenyl-9,9'-spirobi[fluorene]-2'-amine
CID 118298489
7'-phenyl-N,N-bis(4-phenylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine
CID 122504195
N-[4-(2-dibenzofuran-4-yl-5-phenylphenyl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 167484367
4-naphthalen-2-yl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine
CID 135277308
4-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine
CID 169022143
7,7-dimethyl-N-(3-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine
CID 161155666
4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)dibenzofuran-3-yl]phenyl]aniline
CID 135277346

Frequently Asked Questions

What is the IUPAC name of 2,7-difluoro-N,N-bis(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[5,6-b][1]benzofuran]-9'-amine?
The IUPAC name of 2,7-difluoro-N,N-bis(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[5,6-b][1]benzofuran]-9'-amine (CID 121444465) is 2,7-difluoro-N,N-bis(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[5,6-b][1]benzofuran]-9'-amine.
What is the SMILES notation for 2,7-difluoro-N,N-bis(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[5,6-b][1]benzofuran]-9'-amine?
The canonical SMILES for 2,7-difluoro-N,N-bis(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[5,6-b][1]benzofuran]-9'-amine is Fc1ccc2c(c1)C1(c3cc(F)ccc3-2)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)ccc2-c2c1ccc1c2oc2ccccc21.
What is the InChIKey of 2,7-difluoro-N,N-bis(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[5,6-b][1]benzofuran]-9'-amine?
The InChIKey is JOMKTCZVYULAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H33F2NO/c56-38-19-26-43-44-27-20-39(57)32-50(44)55(49(43)31-38)48-30-29-46-45-13-7-8-14-52(45)59-54(46)53(48)47-28-25-42(33-51(47)55)58(40-21-15-36(16-22-40)34-9-3-1-4-10-34)41-23-17-37(18-24-41)35-11-5-2-6-12-35/h1-33H.
What are the key properties of 2,7-difluoro-N,N-bis(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[5,6-b][1]benzofuran]-9'-amine?
2,7-difluoro-N,N-bis(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[5,6-b][1]benzofuran]-9'-amine has a molecular weight of 761.87 g/mol, XLogP of 15.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-difluoro-N,N-bis(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[5,6-b][1]benzofuran]-9'-amine is sourced from PubChem (CID 121444465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).