N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-xanthene]-3-yl-N-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline

C74H47NO2 — CID 138476345

IUPACN-(4-phenylphenyl)-3-spiro[fluorene-9,9'-xanthene]-3-yl-N-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccc5c(c4)-c4ccccc4C54c5ccccc5Oc5ccccc54)c3)c3cccc(-c4cccc5c4-c4ccccc4C54c5ccccc5Oc5ccccc54)c3)cc2)cc1
InChIInChI=1S/C74H47NO2/c1-2-19-48(20-3-1)49-39-42-53(43-40-49)75(54-23-16-21-50(45-54)51-41-44-62-59(47-51)57-25-4-6-28-60(57)73(62)63-30-8-12-35-68(63)76-69-36-13-9-31-64(69)73)55-24-17-22-52(46-55)56-27-18-34-67-72(56)58-26-5-7-29-61(58)74(67)65-32-10-14-37-70(65)77-71-38-15-11-33-66(71)74/h1-47H
InChIKeyNOKXRZXUPPDUEW-UHFFFAOYSA-N
MW982.20 g/mol
LogP19.09
Rot. Bonds6

About N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-xanthene]-3-yl-N-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline

N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-xanthene]-3-yl-N-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline (PubChem CID 138476345) has the molecular formula C74H47NO2 and a molecular weight of 982.20 g/mol. Its IUPAC name is N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-xanthene]-3-yl-N-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline.

Molecular Properties

Compound NameN-(4-phenylphenyl)-3-spiro[fluorene-9,9'-xanthene]-3-yl-N-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline
PubChem CID138476345
Molecular FormulaC74H47NO2
Molecular Weight982.20 g/mol
Exact Mass981.36
IUPAC NameN-(4-phenylphenyl)-3-spiro[fluorene-9,9'-xanthene]-3-yl-N-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccc5c(c4)-c4ccccc4C54c5ccccc5Oc5ccccc54)c3)c3cccc(-c4cccc5c4-c4ccccc4C54c5ccccc5Oc5ccccc54)c3)cc2)cc1
InChIInChI=1S/C74H47NO2/c1-2-19-48(20-3-1)49-39-42-53(43-40-49)75(54-23-16-21-50(45-54)51-41-44-62-59(47-51)57-25-4-6-28-60(57)73(62)63-30-8-12-35-68(63)76-69-36-13-9-31-64(69)73)55-24-17-22-52(46-55)56-27-18-34-67-72(56)58-26-5-7-29-61(58)74(67)65-32-10-14-37-70(65)77-71-38-15-11-33-66(71)74/h1-47H
InChIKeyNOKXRZXUPPDUEW-UHFFFAOYSA-N
XLogP19.09
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500982.20
LogP ≤ 519.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(3-phenylphenyl)phenyl]-3-spiro[fluorene-9,9'-xanthene]-3-yl-N-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline
CID 138476230
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-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,4-diphenyl-N-[4-(4'-phenyl-9,9'-spirobi[fluorene]-3-yl)phenyl]aniline
CID 129259026
N-[4-(4-phenylphenyl)phenyl]-N-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine
CID 138476259
CID 118153657
CID 118153657
N-(3-phenylphenyl)-N-(2-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine
CID 138477700
2-phenyl-N-(2-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline
CID 138477572
N-[4-(3-phenylphenyl)phenyl]-2-spiro[fluorene-9,9'-xanthene]-3-yl-N-(3-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)aniline
CID 138476977
N-[4-(3-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138476873
N-(3-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-4-yl-N-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline
CID 138477025

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-xanthene]-3-yl-N-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline?
The IUPAC name of N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-xanthene]-3-yl-N-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline (CID 138476345) is N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-xanthene]-3-yl-N-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline.
What is the SMILES notation for N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-xanthene]-3-yl-N-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline?
The canonical SMILES for N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-xanthene]-3-yl-N-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline is c1ccc(-c2ccc(N(c3cccc(-c4ccc5c(c4)-c4ccccc4C54c5ccccc5Oc5ccccc54)c3)c3cccc(-c4cccc5c4-c4ccccc4C54c5ccccc5Oc5ccccc54)c3)cc2)cc1.
What is the InChIKey of N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-xanthene]-3-yl-N-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline?
The InChIKey is NOKXRZXUPPDUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H47NO2/c1-2-19-48(20-3-1)49-39-42-53(43-40-49)75(54-23-16-21-50(45-54)51-41-44-62-59(47-51)57-25-4-6-28-60(57)73(62)63-30-8-12-35-68(63)76-69-36-13-9-31-64(69)73)55-24-17-22-52(46-55)56-27-18-34-67-72(56)58-26-5-7-29-61(58)74(67)65-32-10-14-37-70(65)77-71-38-15-11-33-66(71)74/h1-47H.
What are the key properties of N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-xanthene]-3-yl-N-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline?
N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-xanthene]-3-yl-N-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline has a molecular weight of 982.20 g/mol, XLogP of 19.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-xanthene]-3-yl-N-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline is sourced from PubChem (CID 138476345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).