N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[benzo[a]fluorene-11,9'-xanthene]-8-amine

C66H41NO2 — CID 138477234

IUPACN-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[benzo[a]fluorene-11,9'-xanthene]-8-amine
SMILESc1ccc(-c2ccccc2N(c2ccc3c(c2)-c2ccc4ccccc4c2C32c3ccccc3Oc3ccccc32)c2cccc3c2-c2ccccc2C32c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C66H41NO2/c1-2-19-42(20-3-1)45-22-7-13-31-57(45)67(58-32-18-30-56-63(58)48-24-6-8-25-50(48)65(56)52-26-9-14-33-59(52)68-60-34-15-10-27-53(60)65)44-38-40-51-49(41-44)47-39-37-43-21-4-5-23-46(43)64(47)66(51)54-28-11-16-35-61(54)69-62-36-17-12-29-55(62)66/h1-41H
InChIKeyXODQWNHHRVSWRF-UHFFFAOYSA-N
MW880.06 g/mol
LogP16.91
Rot. Bonds4

About N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[benzo[a]fluorene-11,9'-xanthene]-8-amine

N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[benzo[a]fluorene-11,9'-xanthene]-8-amine (PubChem CID 138477234) has the molecular formula C66H41NO2 and a molecular weight of 880.06 g/mol. Its IUPAC name is N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[benzo[a]fluorene-11,9'-xanthene]-8-amine.

Molecular Properties

Compound NameN-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[benzo[a]fluorene-11,9'-xanthene]-8-amine
PubChem CID138477234
Molecular FormulaC66H41NO2
Molecular Weight880.06 g/mol
Exact Mass879.31
IUPAC NameN-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[benzo[a]fluorene-11,9'-xanthene]-8-amine
SMILESc1ccc(-c2ccccc2N(c2ccc3c(c2)-c2ccc4ccccc4c2C32c3ccccc3Oc3ccccc32)c2cccc3c2-c2ccccc2C32c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C66H41NO2/c1-2-19-42(20-3-1)45-22-7-13-31-57(45)67(58-32-18-30-56-63(58)48-24-6-8-25-50(48)65(56)52-26-9-14-33-59(52)68-60-34-15-10-27-53(60)65)44-38-40-51-49(41-44)47-39-37-43-21-4-5-23-46(43)64(47)66(51)54-28-11-16-35-61(54)69-62-36-17-12-29-55(62)66/h1-41H
InChIKeyXODQWNHHRVSWRF-UHFFFAOYSA-N
XLogP16.91
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500880.06
LogP ≤ 516.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[a]fluorene-11,9'-xanthene]-7-amine
CID 138477419
N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-3-yl)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'-amine
CID 135229541
N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[benzo[b]fluorene-11,9'-xanthene]-3-amine
CID 138477050
N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[b]fluorene-11,9'-xanthene]-3-amine;N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[b]fluorene-11,9'-xanthene]-4-amine;N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[g]fluorene-7,9'-xanthene]-9-amine
CID 159817922
N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[benzo[b]fluorene-11,9'-xanthene]-3-amine
CID 138477870
N-phenanthren-2-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4-amine
CID 170117119
N-naphthalen-1-yl-N-(4-phenylnaphthalen-1-yl)spiro[fluorene-9,9'-xanthene]-3-amine
CID 167178058
N-(2-phenylphenyl)-N-spiro[benzo[c]fluorene-7,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-4-amine
CID 138477059
N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[benzo[a]fluorene-11,9'-xanthene]-3-amine;N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[benzo[a]fluorene-11,9'-xanthene]-4-amine;N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[benzo[a]fluorene-11,9'-xanthene]-5-amine
CID 157433303
N-(4-naphthalen-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-(4-naphthalen-2-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 159769520
N-[2-(4-phenylphenyl)phenyl]-N-spiro[benzo[c]fluorene-7,9'-thioxanthene]-10-ylspiro[fluorene-9,9'-xanthene]-2-amine;N-[2-(4-phenylphenyl)phenyl]-N-spiro[benzo[c]fluorene-7,9'-thioxanthene]-11-ylspiro[fluorene-9,9'-xanthene]-2-amine;N-[2-(4-phenylphenyl)phenyl]-N-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 161030964
N-[4-(4-phenylphenyl)phenyl]-N-(2-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine
CID 138477697

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[benzo[a]fluorene-11,9'-xanthene]-8-amine?
The IUPAC name of N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[benzo[a]fluorene-11,9'-xanthene]-8-amine (CID 138477234) is N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[benzo[a]fluorene-11,9'-xanthene]-8-amine.
What is the SMILES notation for N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[benzo[a]fluorene-11,9'-xanthene]-8-amine?
The canonical SMILES for N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[benzo[a]fluorene-11,9'-xanthene]-8-amine is c1ccc(-c2ccccc2N(c2ccc3c(c2)-c2ccc4ccccc4c2C32c3ccccc3Oc3ccccc32)c2cccc3c2-c2ccccc2C32c3ccccc3Oc3ccccc32)cc1.
What is the InChIKey of N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[benzo[a]fluorene-11,9'-xanthene]-8-amine?
The InChIKey is XODQWNHHRVSWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H41NO2/c1-2-19-42(20-3-1)45-22-7-13-31-57(45)67(58-32-18-30-56-63(58)48-24-6-8-25-50(48)65(56)52-26-9-14-33-59(52)68-60-34-15-10-27-53(60)65)44-38-40-51-49(41-44)47-39-37-43-21-4-5-23-46(43)64(47)66(51)54-28-11-16-35-61(54)69-62-36-17-12-29-55(62)66/h1-41H.
What are the key properties of N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[benzo[a]fluorene-11,9'-xanthene]-8-amine?
N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[benzo[a]fluorene-11,9'-xanthene]-8-amine has a molecular weight of 880.06 g/mol, XLogP of 16.91, 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]-4-ylspiro[benzo[a]fluorene-11,9'-xanthene]-8-amine is sourced from PubChem (CID 138477234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).