N,2-diphenyl-4-(3-pyridin-2-yl-9,9'-spirobi[xanthene]-2'-yl)aniline

C48H32N2O2 — CID 118861045

IUPACN,2-diphenyl-4-(3-pyridin-2-yl-9,9'-spirobi[xanthene]-2'-yl)aniline
SMILESc1ccc(Nc2ccc(-c3ccc4c(c3)C3(c5ccccc5Oc5cc(-c6ccccn6)ccc53)c3ccccc3O4)cc2-c2ccccc2)cc1
InChIInChI=1S/C48H32N2O2/c1-3-13-32(14-4-1)37-29-33(23-26-43(37)50-36-15-5-2-6-16-36)34-24-27-46-41(30-34)48(38-17-7-9-20-44(38)51-46)39-18-8-10-21-45(39)52-47-31-35(22-25-40(47)48)42-19-11-12-28-49-42/h1-31,50H
InChIKeyXNGJTGPUWOUNTJ-UHFFFAOYSA-N
MW668.80 g/mol
LogP12.42
Rot. Bonds5

About N,2-diphenyl-4-(3-pyridin-2-yl-9,9'-spirobi[xanthene]-2'-yl)aniline

N,2-diphenyl-4-(3-pyridin-2-yl-9,9'-spirobi[xanthene]-2'-yl)aniline (PubChem CID 118861045) has the molecular formula C48H32N2O2 and a molecular weight of 668.80 g/mol. Its IUPAC name is N,2-diphenyl-4-(3-pyridin-2-yl-9,9'-spirobi[xanthene]-2'-yl)aniline.

Molecular Properties

Compound NameN,2-diphenyl-4-(3-pyridin-2-yl-9,9'-spirobi[xanthene]-2'-yl)aniline
PubChem CID118861045
Molecular FormulaC48H32N2O2
Molecular Weight668.80 g/mol
Exact Mass668.25
IUPAC NameN,2-diphenyl-4-(3-pyridin-2-yl-9,9'-spirobi[xanthene]-2'-yl)aniline
SMILESc1ccc(Nc2ccc(-c3ccc4c(c3)C3(c5ccccc5Oc5cc(-c6ccccn6)ccc53)c3ccccc3O4)cc2-c2ccccc2)cc1
InChIInChI=1S/C48H32N2O2/c1-3-13-32(14-4-1)37-29-33(23-26-43(37)50-36-15-5-2-6-16-36)34-24-27-46-41(30-34)48(38-17-7-9-20-44(38)51-46)39-18-8-10-21-45(39)52-47-31-35(22-25-40(47)48)42-19-11-12-28-49-42/h1-31,50H
InChIKeyXNGJTGPUWOUNTJ-UHFFFAOYSA-N
XLogP12.42
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.80
LogP ≤ 512.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-pyridin-3-yl-9,9'-spirobi[xanthene]-3'-yl)pyridine
CID 118698448
4,6-diphenyl-2-[3-[6-(3-pyridin-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-3-yl]phenyl]pyrimidine
CID 167178504
2,4-diphenyl-6-(7-pyridin-2-ylspiro[fluorene-9,9'-xanthene]-2-yl)-1,3,5-triazine
CID 146549517
2,4-diphenyl-6-[4-[7'-(3-pyridin-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-1,3,5-triazine
CID 167178347
2,4-diphenyl-6-[4-[6'-(4-pyridin-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]pyrimidine
CID 167178462
4-phenyl-6-pyridin-2-yl-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
CID 130380006
2,4'-diphenyl-9,9'-spirobi[xanthene];3,4'-diphenyl-9,9'-spirobi[xanthene];4,4'-diphenyl-9,9'-spirobi[xanthene]
CID 161440749
3,3'-diphenyl-9,9'-spirobi[xanthene]
CID 118698118
2',7'-diphenyl-9,9'-spirobi[xanthene]
CID 118698131
4,6-diphenyl-2-[4-[7-(3-pyridin-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]pyrimidine
CID 167177967
4-naphthalen-2-yl-2-phenyl-6-(6'-pyridin-2-ylspiro[fluorene-9,9'-xanthene]-3'-yl)pyrimidine
CID 167177922
2-phenyl-N-(3-pyridin-2-ylphenyl)aniline
CID 140908587

Frequently Asked Questions

What is the IUPAC name of N,2-diphenyl-4-(3-pyridin-2-yl-9,9'-spirobi[xanthene]-2'-yl)aniline?
The IUPAC name of N,2-diphenyl-4-(3-pyridin-2-yl-9,9'-spirobi[xanthene]-2'-yl)aniline (CID 118861045) is N,2-diphenyl-4-(3-pyridin-2-yl-9,9'-spirobi[xanthene]-2'-yl)aniline.
What is the SMILES notation for N,2-diphenyl-4-(3-pyridin-2-yl-9,9'-spirobi[xanthene]-2'-yl)aniline?
The canonical SMILES for N,2-diphenyl-4-(3-pyridin-2-yl-9,9'-spirobi[xanthene]-2'-yl)aniline is c1ccc(Nc2ccc(-c3ccc4c(c3)C3(c5ccccc5Oc5cc(-c6ccccn6)ccc53)c3ccccc3O4)cc2-c2ccccc2)cc1.
What is the InChIKey of N,2-diphenyl-4-(3-pyridin-2-yl-9,9'-spirobi[xanthene]-2'-yl)aniline?
The InChIKey is XNGJTGPUWOUNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2O2/c1-3-13-32(14-4-1)37-29-33(23-26-43(37)50-36-15-5-2-6-16-36)34-24-27-46-41(30-34)48(38-17-7-9-20-44(38)51-46)39-18-8-10-21-45(39)52-47-31-35(22-25-40(47)48)42-19-11-12-28-49-42/h1-31,50H.
What are the key properties of N,2-diphenyl-4-(3-pyridin-2-yl-9,9'-spirobi[xanthene]-2'-yl)aniline?
N,2-diphenyl-4-(3-pyridin-2-yl-9,9'-spirobi[xanthene]-2'-yl)aniline has a molecular weight of 668.80 g/mol, XLogP of 12.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diphenyl-4-(3-pyridin-2-yl-9,9'-spirobi[xanthene]-2'-yl)aniline is sourced from PubChem (CID 118861045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).