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

C49H31NO — CID 90277788

IUPACN-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-1-yl)dibenzofuran-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4oc5ccccc5c4c3)c3cccc4c3C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1
InChIInChI=1S/C49H31NO/c1-2-13-32(14-3-1)33-25-27-34(28-26-33)50(35-29-30-47-41(31-35)39-18-7-11-24-46(39)51-47)45-23-12-19-40-38-17-6-10-22-44(38)49(48(40)45)42-20-8-4-15-36(42)37-16-5-9-21-43(37)49/h1-31H
InChIKeyYJJVOVDEQNBZPO-UHFFFAOYSA-N
MW649.79 g/mol
LogP13.07
Rot. Bonds4

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

N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-1-yl)dibenzofuran-2-amine (PubChem CID 90277788) has the molecular formula C49H31NO and a molecular weight of 649.79 g/mol. Its IUPAC name is N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-1-yl)dibenzofuran-2-amine.

Molecular Properties

Compound NameN-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-1-yl)dibenzofuran-2-amine
PubChem CID90277788
Molecular FormulaC49H31NO
Molecular Weight649.79 g/mol
Exact Mass649.24
IUPAC NameN-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-1-yl)dibenzofuran-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4oc5ccccc5c4c3)c3cccc4c3C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1
InChIInChI=1S/C49H31NO/c1-2-13-32(14-3-1)33-25-27-34(28-26-33)50(35-29-30-47-41(31-35)39-18-7-11-24-46(39)51-47)45-23-12-19-40-38-17-6-10-22-44(38)49(48(40)45)42-20-8-4-15-36(42)37-16-5-9-21-43(37)49/h1-31H
InChIKeyYJJVOVDEQNBZPO-UHFFFAOYSA-N
XLogP13.07
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.79
LogP ≤ 513.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-phenylphenyl)-N-(2'-phenyl-9,9'-spirobi[fluorene]-1-yl)dibenzofuran-2-amine
CID 129259116
N-(4-phenylphenyl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-yldibenzofuran-2-amine
CID 130263998
N-[4-(4-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine
CID 130308420
N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-(2-phenylphenyl)dibenzofuran-2-amine
CID 156664742
N-(11,11-dimethylbenzo[a]fluoren-4-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 148507148
N-(3-dibenzofuran-2-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 167176749
N-(2-dibenzofuran-3-yl-3-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine
CID 170666319
N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-2-amine;N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-2-amine
CID 164990095
3-N-dibenzofuran-2-yl-1-N-naphthalen-1-yl-3-N-[3-(9-phenylfluoren-9-yl)phenyl]-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 155096638
1-N-dibenzofuran-2-yl-1-N,5-N-diphenyl-5-N-(4-phenylphenyl)naphthalene-1,5-diamine
CID 166917710
2-(5-dibenzofuran-3-yl-1-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaenyl)-N,N-bis(4-phenylphenyl)aniline
CID 122537211
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine
CID 121358652

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-1-yl)dibenzofuran-2-amine?
The IUPAC name of N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-1-yl)dibenzofuran-2-amine (CID 90277788) is N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-1-yl)dibenzofuran-2-amine.
What is the SMILES notation for N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-1-yl)dibenzofuran-2-amine?
The canonical SMILES for N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-1-yl)dibenzofuran-2-amine is c1ccc(-c2ccc(N(c3ccc4oc5ccccc5c4c3)c3cccc4c3C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1.
What is the InChIKey of N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-1-yl)dibenzofuran-2-amine?
The InChIKey is YJJVOVDEQNBZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31NO/c1-2-13-32(14-3-1)33-25-27-34(28-26-33)50(35-29-30-47-41(31-35)39-18-7-11-24-46(39)51-47)45-23-12-19-40-38-17-6-10-22-44(38)49(48(40)45)42-20-8-4-15-36(42)37-16-5-9-21-43(37)49/h1-31H.
What are the key properties of N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-1-yl)dibenzofuran-2-amine?
N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-1-yl)dibenzofuran-2-amine has a molecular weight of 649.79 g/mol, XLogP of 13.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-1-yl)dibenzofuran-2-amine is sourced from PubChem (CID 90277788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).