N-(8-phenyldibenzofuran-1-yl)-N-[3-(9-phenylfluoren-9-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-amine

C68H43NO2 — CID 176759987

IUPACN-(8-phenyldibenzofuran-1-yl)-N-[3-(9-phenylfluoren-9-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-amine
SMILESc1ccc(-c2ccc3oc4cccc(N(c5cccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)c5)c5cccc6c5-c5ccccc5C65c6ccccc6Oc6ccccc65)c4c3c2)cc1
InChIInChI=1S/C68H43NO2/c1-3-20-44(21-4-1)45-40-41-61-52(42-45)66-60(36-19-39-64(66)70-61)69(48-25-17-24-47(43-48)67(46-22-5-2-6-23-46)53-29-10-7-26-49(53)50-27-8-11-30-54(50)67)59-35-18-34-58-65(59)51-28-9-12-31-55(51)68(58)56-32-13-15-37-62(56)71-63-38-16-14-33-57(63)68/h1-43H
InChIKeyLJBVLPHTMLIPJA-UHFFFAOYSA-N
MW906.10 g/mol
LogP17.55
Rot. Bonds6

About N-(8-phenyldibenzofuran-1-yl)-N-[3-(9-phenylfluoren-9-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-amine

N-(8-phenyldibenzofuran-1-yl)-N-[3-(9-phenylfluoren-9-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-amine (PubChem CID 176759987) has the molecular formula C68H43NO2 and a molecular weight of 906.10 g/mol. Its IUPAC name is N-(8-phenyldibenzofuran-1-yl)-N-[3-(9-phenylfluoren-9-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-amine.

Molecular Properties

Compound NameN-(8-phenyldibenzofuran-1-yl)-N-[3-(9-phenylfluoren-9-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-amine
PubChem CID176759987
Molecular FormulaC68H43NO2
Molecular Weight906.10 g/mol
Exact Mass905.33
IUPAC NameN-(8-phenyldibenzofuran-1-yl)-N-[3-(9-phenylfluoren-9-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-amine
SMILESc1ccc(-c2ccc3oc4cccc(N(c5cccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)c5)c5cccc6c5-c5ccccc5C65c6ccccc6Oc6ccccc65)c4c3c2)cc1
InChIInChI=1S/C68H43NO2/c1-3-20-44(21-4-1)45-40-41-61-52(42-45)66-60(36-19-39-64(66)70-61)69(48-25-17-24-47(43-48)67(46-22-5-2-6-23-46)53-29-10-7-26-49(53)50-27-8-11-30-54(50)67)59-35-18-34-58-65(59)51-28-9-12-31-55(51)68(58)56-32-13-15-37-62(56)71-63-38-16-14-33-57(63)68/h1-43H
InChIKeyLJBVLPHTMLIPJA-UHFFFAOYSA-N
XLogP17.55
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500906.10
LogP ≤ 517.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[8-(2,6-diphenylphenyl)dibenzofuran-1-yl]-8-phenyl-N-[3-[9-phenyl-4-(8-phenyldibenzofuran-1-yl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
CID 176760020
N-(9,9-diphenylfluoren-2-yl)-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
CID 176759723
N-dibenzofuran-1-yl-N-(8-phenyldibenzofuran-1-yl)spiro[fluorene-9,9'-xanthene]-2'-amine
CID 169315784
8-phenyl-N-(3-phenylphenyl)-N-[4-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
CID 176759838
1-N-dibenzofuran-1-yl-2-N-(9,9-diphenylfluoren-4-yl)-1-N-phenyl-2-N-[3-(9-phenylfluoren-9-yl)phenyl]benzene-1,2-diamine
CID 155096765
N-(4-dibenzofuran-1-ylphenyl)-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
CID 176759950
N-(3-dibenzofuran-2-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 167176749
N-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476554
N-(9,9-dimethyl-5-phenylfluoren-2-yl)-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
CID 176759880
N-phenyl-N-(4-phenylphenyl)-8-[9-(4-phenylphenyl)fluoren-9-yl]dibenzofuran-1-amine
CID 163681080
N-[4-(3-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-4-amine;N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-4-amine;N-(3-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-4-amine
CID 159195923
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-1-amine
CID 121391790

Frequently Asked Questions

What is the IUPAC name of N-(8-phenyldibenzofuran-1-yl)-N-[3-(9-phenylfluoren-9-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-amine?
The IUPAC name of N-(8-phenyldibenzofuran-1-yl)-N-[3-(9-phenylfluoren-9-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-amine (CID 176759987) is N-(8-phenyldibenzofuran-1-yl)-N-[3-(9-phenylfluoren-9-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-amine.
What is the SMILES notation for N-(8-phenyldibenzofuran-1-yl)-N-[3-(9-phenylfluoren-9-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-amine?
The canonical SMILES for N-(8-phenyldibenzofuran-1-yl)-N-[3-(9-phenylfluoren-9-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-amine is c1ccc(-c2ccc3oc4cccc(N(c5cccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)c5)c5cccc6c5-c5ccccc5C65c6ccccc6Oc6ccccc65)c4c3c2)cc1.
What is the InChIKey of N-(8-phenyldibenzofuran-1-yl)-N-[3-(9-phenylfluoren-9-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-amine?
The InChIKey is LJBVLPHTMLIPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H43NO2/c1-3-20-44(21-4-1)45-40-41-61-52(42-45)66-60(36-19-39-64(66)70-61)69(48-25-17-24-47(43-48)67(46-22-5-2-6-23-46)53-29-10-7-26-49(53)50-27-8-11-30-54(50)67)59-35-18-34-58-65(59)51-28-9-12-31-55(51)68(58)56-32-13-15-37-62(56)71-63-38-16-14-33-57(63)68/h1-43H.
What are the key properties of N-(8-phenyldibenzofuran-1-yl)-N-[3-(9-phenylfluoren-9-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-amine?
N-(8-phenyldibenzofuran-1-yl)-N-[3-(9-phenylfluoren-9-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-amine has a molecular weight of 906.10 g/mol, XLogP of 17.55, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-phenyldibenzofuran-1-yl)-N-[3-(9-phenylfluoren-9-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-amine is sourced from PubChem (CID 176759987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).