N-(3,4-diphenylphenyl)-N-(3-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine

C55H37NO — CID 167177152

IUPACN-(3,4-diphenylphenyl)-N-(3-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine
SMILESc1ccc(-c2cccc(N(c3ccc(-c4ccccc4)c(-c4ccccc4)c3)c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)c2)cc1
InChIInChI=1S/C55H37NO/c1-4-17-38(18-5-1)41-23-16-24-42(35-41)56(43-31-33-45(39-19-6-2-7-20-39)48(36-43)40-21-8-3-9-22-40)44-32-34-54-52(37-44)55(51-29-14-15-30-53(51)57-54)49-27-12-10-25-46(49)47-26-11-13-28-50(47)55/h1-37H
InChIKeyUOGHMOPEAFXSNY-UHFFFAOYSA-N
MW727.91 g/mol
LogP14.63
Rot. Bonds6

About N-(3,4-diphenylphenyl)-N-(3-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine

N-(3,4-diphenylphenyl)-N-(3-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine (PubChem CID 167177152) has the molecular formula C55H37NO and a molecular weight of 727.91 g/mol. Its IUPAC name is N-(3,4-diphenylphenyl)-N-(3-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine.

Molecular Properties

Compound NameN-(3,4-diphenylphenyl)-N-(3-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine
PubChem CID167177152
Molecular FormulaC55H37NO
Molecular Weight727.91 g/mol
Exact Mass727.29
IUPAC NameN-(3,4-diphenylphenyl)-N-(3-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine
SMILESc1ccc(-c2cccc(N(c3ccc(-c4ccccc4)c(-c4ccccc4)c3)c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)c2)cc1
InChIInChI=1S/C55H37NO/c1-4-17-38(18-5-1)41-23-16-24-42(35-41)56(43-31-33-45(39-19-6-2-7-20-39)48(36-43)40-21-8-3-9-22-40)44-32-34-54-52(37-44)55(51-29-14-15-30-53(51)57-54)49-27-12-10-25-46(49)47-26-11-13-28-50(47)55/h1-37H
InChIKeyUOGHMOPEAFXSNY-UHFFFAOYSA-N
XLogP14.63
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.91
LogP ≤ 514.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline
CID 167176728
N-(3,4-diphenylphenyl)-N-(3-phenylphenyl)spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-10,9'-fluorene]-17-amine
CID 138582773
N-(3-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476091
N,N,2',7'-tetraphenylspiro[fluorene-9,9'-xanthene]-2-amine
CID 170240662
N-(2-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]-2-amine
CID 167177160
N-[2-(4-phenylphenyl)phenyl]-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138477499
N-(4-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138475877
N-[2-(9-phenylfluoren-9-yl)phenyl]-N-(3-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine
CID 166679145
N-[4-(3-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138476873
N-(3,4-diphenylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 155114306
N-(9,9-diphenylfluoren-2-yl)-N,2',3'-triphenylspiro[fluorene-9,9'-xanthene]-2-amine
CID 170240655
9,9-diphenyl-N-(4-phenylphenyl)-N-[3-[3-(9-phenylxanthen-9-yl)phenyl]phenyl]fluoren-2-amine
CID 90154251

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diphenylphenyl)-N-(3-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine?
The IUPAC name of N-(3,4-diphenylphenyl)-N-(3-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine (CID 167177152) is N-(3,4-diphenylphenyl)-N-(3-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine.
What is the SMILES notation for N-(3,4-diphenylphenyl)-N-(3-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine?
The canonical SMILES for N-(3,4-diphenylphenyl)-N-(3-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine is c1ccc(-c2cccc(N(c3ccc(-c4ccccc4)c(-c4ccccc4)c3)c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)c2)cc1.
What is the InChIKey of N-(3,4-diphenylphenyl)-N-(3-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine?
The InChIKey is UOGHMOPEAFXSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37NO/c1-4-17-38(18-5-1)41-23-16-24-42(35-41)56(43-31-33-45(39-19-6-2-7-20-39)48(36-43)40-21-8-3-9-22-40)44-32-34-54-52(37-44)55(51-29-14-15-30-53(51)57-54)49-27-12-10-25-46(49)47-26-11-13-28-50(47)55/h1-37H.
What are the key properties of N-(3,4-diphenylphenyl)-N-(3-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine?
N-(3,4-diphenylphenyl)-N-(3-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine has a molecular weight of 727.91 g/mol, XLogP of 14.63, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-diphenylphenyl)-N-(3-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine is sourced from PubChem (CID 167177152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).