N-(6-phenylnaphthalen-2-yl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine

C66H41NO2 — CID 138475982

IUPACN-(6-phenylnaphthalen-2-yl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine
SMILESc1ccc(-c2ccc3cc(N(c4ccc5c(c4)-c4ccccc4C54c5ccccc5Oc5ccccc54)c4cccc5c4-c4ccccc4C54c5ccccc5Oc5ccccc54)ccc3c2)cc1
InChIInChI=1S/C66H41NO2/c1-2-17-42(18-3-1)43-33-34-45-40-46(36-35-44(45)39-43)67(47-37-38-53-50(41-47)48-19-4-6-21-51(48)65(53)54-23-8-12-29-60(54)68-61-30-13-9-24-55(61)65)59-28-16-27-58-64(59)49-20-5-7-22-52(49)66(58)56-25-10-14-31-62(56)69-63-32-15-11-26-57(63)66/h1-41H
InChIKeyPVCVQHDULHACCL-UHFFFAOYSA-N
MW880.06 g/mol
LogP16.91
Rot. Bonds4

About N-(6-phenylnaphthalen-2-yl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine

N-(6-phenylnaphthalen-2-yl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine (PubChem CID 138475982) has the molecular formula C66H41NO2 and a molecular weight of 880.06 g/mol. Its IUPAC name is N-(6-phenylnaphthalen-2-yl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine.

Molecular Properties

Compound NameN-(6-phenylnaphthalen-2-yl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine
PubChem CID138475982
Molecular FormulaC66H41NO2
Molecular Weight880.06 g/mol
Exact Mass879.31
IUPAC NameN-(6-phenylnaphthalen-2-yl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine
SMILESc1ccc(-c2ccc3cc(N(c4ccc5c(c4)-c4ccccc4C54c5ccccc5Oc5ccccc54)c4cccc5c4-c4ccccc4C54c5ccccc5Oc5ccccc54)ccc3c2)cc1
InChIInChI=1S/C66H41NO2/c1-2-17-42(18-3-1)43-33-34-45-40-46(36-35-44(45)39-43)67(47-37-38-53-50(41-47)48-19-4-6-21-51(48)65(53)54-23-8-12-29-60(54)68-61-30-13-9-24-55(61)65)59-28-16-27-58-64(59)49-20-5-7-22-52(49)66(58)56-25-10-14-31-62(56)69-63-32-15-11-26-57(63)66/h1-41H
InChIKeyPVCVQHDULHACCL-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]-4-ylspiro[benzo[b]fluorene-11,9'-xanthene]-3-amine
CID 138477870
N-(4-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138476201
N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138476202
N-[4-(4-phenylphenyl)phenyl]-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine;N-(3-phenylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine;N-(4-phenylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine
CID 158045243
4'-phenyl-N-(6-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129258808
N-(3-phenylphenyl)-N-(2-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine
CID 138477700
N-naphthalen-1-yl-N-(6-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-3'-amine
CID 164794441
N-[4-(4-phenylphenyl)phenyl]-N-(2-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine
CID 138477697
N-(16-phenyl-5-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine
CID 166031994
N-[4-(3-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-4-amine;N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-4-amine;N-(3-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-4-amine
CID 159195923
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-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[benzo[b]fluorene-11,9'-xanthene]-3-amine
CID 138477050

Frequently Asked Questions

What is the IUPAC name of N-(6-phenylnaphthalen-2-yl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine?
The IUPAC name of N-(6-phenylnaphthalen-2-yl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine (CID 138475982) is N-(6-phenylnaphthalen-2-yl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine.
What is the SMILES notation for N-(6-phenylnaphthalen-2-yl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine?
The canonical SMILES for N-(6-phenylnaphthalen-2-yl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine is c1ccc(-c2ccc3cc(N(c4ccc5c(c4)-c4ccccc4C54c5ccccc5Oc5ccccc54)c4cccc5c4-c4ccccc4C54c5ccccc5Oc5ccccc54)ccc3c2)cc1.
What is the InChIKey of N-(6-phenylnaphthalen-2-yl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine?
The InChIKey is PVCVQHDULHACCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H41NO2/c1-2-17-42(18-3-1)43-33-34-45-40-46(36-35-44(45)39-43)67(47-37-38-53-50(41-47)48-19-4-6-21-51(48)65(53)54-23-8-12-29-60(54)68-61-30-13-9-24-55(61)65)59-28-16-27-58-64(59)49-20-5-7-22-52(49)66(58)56-25-10-14-31-62(56)69-63-32-15-11-26-57(63)66/h1-41H.
What are the key properties of N-(6-phenylnaphthalen-2-yl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine?
N-(6-phenylnaphthalen-2-yl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-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-(6-phenylnaphthalen-2-yl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine is sourced from PubChem (CID 138475982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).