8-phenyl-N-(2'-phenyl-9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine

C49H31NO — CID 176759708

IUPAC8-phenyl-N-(2'-phenyl-9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine
SMILESc1ccc(-c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3c(Nc4cccc5oc6ccc(-c7ccccc7)cc6c45)cccc32)cc1
InChIInChI=1S/C49H31NO/c1-3-13-31(14-4-1)33-26-28-45-38(29-33)48-44(23-12-24-46(48)51-45)50-43-22-11-21-41-47(43)37-18-8-10-20-40(37)49(41)39-19-9-7-17-35(39)36-27-25-34(30-42(36)49)32-15-5-2-6-16-32/h1-30,50H
InChIKeyACXWHEXOTRDPPU-UHFFFAOYSA-N
MW649.79 g/mol
LogP13.01
Rot. Bonds4

About 8-phenyl-N-(2'-phenyl-9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine

8-phenyl-N-(2'-phenyl-9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine (PubChem CID 176759708) has the molecular formula C49H31NO and a molecular weight of 649.79 g/mol. Its IUPAC name is 8-phenyl-N-(2'-phenyl-9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine.

Molecular Properties

Compound Name8-phenyl-N-(2'-phenyl-9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine
PubChem CID176759708
Molecular FormulaC49H31NO
Molecular Weight649.79 g/mol
Exact Mass649.24
IUPAC Name8-phenyl-N-(2'-phenyl-9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine
SMILESc1ccc(-c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3c(Nc4cccc5oc6ccc(-c7ccccc7)cc6c45)cccc32)cc1
InChIInChI=1S/C49H31NO/c1-3-13-31(14-4-1)33-26-28-45-38(29-33)48-44(23-12-24-46(48)51-45)50-43-22-11-21-41-47(43)37-18-8-10-20-40(37)49(41)39-19-9-7-17-35(39)36-27-25-34(30-42(36)49)32-15-5-2-6-16-32/h1-30,50H
InChIKeyACXWHEXOTRDPPU-UHFFFAOYSA-N
XLogP13.01
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.79
LogP ≤ 513.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-4-amine
CID 172545015
N-(4-dibenzofuran-2-ylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(4-phenylnaphthalen-1-yl)-9,9'-spirobi[fluorene]-4-amine;N-[3-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 160799139
8-phenyl-N-[2-(4-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine
CID 176760060
N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-6-phenyldibenzofuran-1-amine
CID 172544930
N-(9,9-dimethyl-5-phenylfluoren-2-yl)-8-phenyldibenzofuran-1-amine
CID 176760037
2-dibenzofuran-1-yl-4-(3-phenylphenyl)-6-[8-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 156734578
2-dibenzofuran-1-yl-4-(4-phenylphenyl)-6-[8-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166002722
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
4,6-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine
CID 172545038
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[8-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166003003
7-dibenzofuran-4-yl-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine
CID 163679772
N-(4-dibenzofuran-1-ylphenyl)-2'-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129258889

Frequently Asked Questions

What is the IUPAC name of 8-phenyl-N-(2'-phenyl-9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine?
The IUPAC name of 8-phenyl-N-(2'-phenyl-9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine (CID 176759708) is 8-phenyl-N-(2'-phenyl-9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine.
What is the SMILES notation for 8-phenyl-N-(2'-phenyl-9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine?
The canonical SMILES for 8-phenyl-N-(2'-phenyl-9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine is c1ccc(-c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3c(Nc4cccc5oc6ccc(-c7ccccc7)cc6c45)cccc32)cc1.
What is the InChIKey of 8-phenyl-N-(2'-phenyl-9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine?
The InChIKey is ACXWHEXOTRDPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31NO/c1-3-13-31(14-4-1)33-26-28-45-38(29-33)48-44(23-12-24-46(48)51-45)50-43-22-11-21-41-47(43)37-18-8-10-20-40(37)49(41)39-19-9-7-17-35(39)36-27-25-34(30-42(36)49)32-15-5-2-6-16-32/h1-30,50H.
What are the key properties of 8-phenyl-N-(2'-phenyl-9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine?
8-phenyl-N-(2'-phenyl-9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine has a molecular weight of 649.79 g/mol, XLogP of 13.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenyl-N-(2'-phenyl-9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine is sourced from PubChem (CID 176759708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).