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

C62H39NO2 — CID 138476600

IUPACN-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine
SMILESc1ccc(-c2ccccc2N(c2ccc3c(c2)-c2ccccc2C32c3ccccc3Oc3ccccc32)c2ccc3c(c2)-c2ccccc2C32c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C62H39NO2/c1-2-18-40(19-3-1)43-20-6-13-29-56(43)63(41-34-36-50-46(38-41)44-21-4-7-23-48(44)61(50)52-25-9-14-30-57(52)64-58-31-15-10-26-53(58)61)42-35-37-51-47(39-42)45-22-5-8-24-49(45)62(51)54-27-11-16-32-59(54)65-60-33-17-12-28-55(60)62/h1-39H
InChIKeyKEAXLTVFAXITFH-UHFFFAOYSA-N
MW830.00 g/mol
LogP15.76
Rot. Bonds4

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

N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine (PubChem CID 138476600) has the molecular formula C62H39NO2 and a molecular weight of 830.00 g/mol. Its IUPAC name is N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine.

Molecular Properties

Compound NameN-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine
PubChem CID138476600
Molecular FormulaC62H39NO2
Molecular Weight830.00 g/mol
Exact Mass829.30
IUPAC NameN-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine
SMILESc1ccc(-c2ccccc2N(c2ccc3c(c2)-c2ccccc2C32c3ccccc3Oc3ccccc32)c2ccc3c(c2)-c2ccccc2C32c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C62H39NO2/c1-2-18-40(19-3-1)43-20-6-13-29-56(43)63(41-34-36-50-46(38-41)44-21-4-7-23-48(44)61(50)52-25-9-14-30-57(52)64-58-31-15-10-26-53(58)61)42-35-37-51-47(39-42)45-22-5-8-24-49(45)62(51)54-27-11-16-32-59(54)65-60-33-17-12-28-55(60)62/h1-39H
InChIKeyKEAXLTVFAXITFH-UHFFFAOYSA-N
XLogP15.76
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500830.00
LogP ≤ 515.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[b]fluorene-11,9'-xanthene]-3-amine
CID 138476453
N-[2-(4-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138477446
N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-3'-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138477897
N-[4-(4-phenylphenyl)phenyl]-2-spiro[fluorene-9,9'-xanthene]-3-yl-N-(2-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)aniline
CID 138477818
N-(4-phenylnaphthalen-1-yl)-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476565
2-phenyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)aniline
CID 90154256
N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[b]fluorene-11,9'-xanthene]-7-amine
CID 138476359
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,N-bis(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-3'-amine;methane;N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine
CID 157220959
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
3-N,11-N'-diphenyl-3-N,11-N'-bis(2-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-3,11'-diamine
CID 130264087

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine?
The IUPAC name of N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine (CID 138476600) is N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine.
What is the SMILES notation for N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine?
The canonical SMILES for N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine is c1ccc(-c2ccccc2N(c2ccc3c(c2)-c2ccccc2C32c3ccccc3Oc3ccccc32)c2ccc3c(c2)-c2ccccc2C32c3ccccc3Oc3ccccc32)cc1.
What is the InChIKey of N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine?
The InChIKey is KEAXLTVFAXITFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H39NO2/c1-2-18-40(19-3-1)43-20-6-13-29-56(43)63(41-34-36-50-46(38-41)44-21-4-7-23-48(44)61(50)52-25-9-14-30-57(52)64-58-31-15-10-26-53(58)61)42-35-37-51-47(39-42)45-22-5-8-24-49(45)62(51)54-27-11-16-32-59(54)65-60-33-17-12-28-55(60)62/h1-39H.
What are the key properties of N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine?
N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine has a molecular weight of 830.00 g/mol, XLogP of 15.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine is sourced from PubChem (CID 138476600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).