N-(4-dibenzofuran-1-ylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine

C74H45NO3 — CID 138477512

IUPACN-(4-dibenzofuran-1-ylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
SMILESc1cc(-c2cccc3c2-c2ccccc2C32c3ccccc3Oc3ccccc32)cc(N(c2ccc(-c3cccc4oc5ccccc5c34)cc2)c2ccc3c(c2)C2(c4ccccc4Oc4ccccc42)c2ccccc2-3)c1
InChIInChI=1S/C74H45NO3/c1-4-25-57-53(20-1)54-43-42-50(45-64(54)74(57)61-29-8-13-35-68(61)78-69-36-14-9-30-62(69)74)75(48-40-38-46(39-41-48)51-24-17-37-70-72(51)56-22-3-10-32-65(56)76-70)49-19-15-18-47(44-49)52-23-16-31-63-71(52)55-21-2-5-26-58(55)73(63)59-27-6-11-33-66(59)77-67-34-12-7-28-60(67)73/h1-45H
InChIKeyUQMMXPIZOVSCMO-UHFFFAOYSA-N
MW996.18 g/mol
LogP19.33
Rot. Bonds5

About N-(4-dibenzofuran-1-ylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine

N-(4-dibenzofuran-1-ylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine (PubChem CID 138477512) has the molecular formula C74H45NO3 and a molecular weight of 996.18 g/mol. Its IUPAC name is N-(4-dibenzofuran-1-ylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-1-ylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
PubChem CID138477512
Molecular FormulaC74H45NO3
Molecular Weight996.18 g/mol
Exact Mass995.34
IUPAC NameN-(4-dibenzofuran-1-ylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
SMILESc1cc(-c2cccc3c2-c2ccccc2C32c3ccccc3Oc3ccccc32)cc(N(c2ccc(-c3cccc4oc5ccccc5c34)cc2)c2ccc3c(c2)C2(c4ccccc4Oc4ccccc42)c2ccccc2-3)c1
InChIInChI=1S/C74H45NO3/c1-4-25-57-53(20-1)54-43-42-50(45-64(54)74(57)61-29-8-13-35-68(61)78-69-36-14-9-30-62(69)74)75(48-40-38-46(39-41-48)51-24-17-37-70-72(51)56-22-3-10-32-65(56)76-70)49-19-15-18-47(44-49)52-23-16-31-63-71(52)55-21-2-5-26-58(55)73(63)59-27-6-11-33-66(59)77-67-34-12-7-28-60(67)73/h1-45H
InChIKeyUQMMXPIZOVSCMO-UHFFFAOYSA-N
XLogP19.33
TPSA34.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500996.18
LogP ≤ 519.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-dibenzofuran-1-ylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138476993
N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-xanthene]-2-yl-N-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline
CID 138477772
N-[4-(3-phenylphenyl)phenyl]-3-spiro[fluorene-9,9'-xanthene]-4-yl-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline
CID 138476242
N-dibenzofuran-4-yl-N-(4-dibenzofuran-1-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 167176643
N-(4-naphtho[2,1-b][1]benzofuran-1-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 168807492
N-(3-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129267119
4-N-dibenzofuran-1-yl-1-N,1-N-diphenyl-4-N-spiro[fluorene-9,9'-xanthene]-2-ylbenzene-1,4-diamine
CID 166959985
N-(4-dibenzofuran-4-ylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138475955
N-[4-(3-phenylphenyl)phenyl]-3-spiro[fluorene-9,9'-xanthene]-4-yl-N-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline
CID 138477053
N-(4-dibenzofuran-1-ylphenyl)-9,9-diphenyl-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-ylphenyl)fluoren-2-amine
CID 135229539
N-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476554
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

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine?
The IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine (CID 138477512) is N-(4-dibenzofuran-1-ylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine.
What is the SMILES notation for N-(4-dibenzofuran-1-ylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine?
The canonical SMILES for N-(4-dibenzofuran-1-ylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine is c1cc(-c2cccc3c2-c2ccccc2C32c3ccccc3Oc3ccccc32)cc(N(c2ccc(-c3cccc4oc5ccccc5c34)cc2)c2ccc3c(c2)C2(c4ccccc4Oc4ccccc42)c2ccccc2-3)c1.
What is the InChIKey of N-(4-dibenzofuran-1-ylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine?
The InChIKey is UQMMXPIZOVSCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H45NO3/c1-4-25-57-53(20-1)54-43-42-50(45-64(54)74(57)61-29-8-13-35-68(61)78-69-36-14-9-30-62(69)74)75(48-40-38-46(39-41-48)51-24-17-37-70-72(51)56-22-3-10-32-65(56)76-70)49-19-15-18-47(44-49)52-23-16-31-63-71(52)55-21-2-5-26-58(55)73(63)59-27-6-11-33-66(59)77-67-34-12-7-28-60(67)73/h1-45H.
What are the key properties of N-(4-dibenzofuran-1-ylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine?
N-(4-dibenzofuran-1-ylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine has a molecular weight of 996.18 g/mol, XLogP of 19.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-1-ylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine is sourced from PubChem (CID 138477512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).