N-phenanthren-2-yl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine

C64H39NO2 — CID 138476834

IUPACN-phenanthren-2-yl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine
SMILESc1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2ccc(N(c3ccc4c(ccc5ccccc54)c3)c3cccc4c3-c3ccccc3C43c4ccccc4Oc4ccccc43)cc21
InChIInChI=1S/C64H39NO2/c1-2-17-44-40(16-1)32-33-41-38-42(34-36-45(41)44)65(43-35-37-47-46-18-3-5-20-49(46)64(56(47)39-43)53-24-9-13-30-60(53)67-61-31-14-10-25-54(61)64)57-27-15-26-55-62(57)48-19-4-6-21-50(48)63(55)51-22-7-11-28-58(51)66-59-29-12-8-23-52(59)63/h1-39H
InChIKeyJBYKZUDXGGSBSD-UHFFFAOYSA-N
MW854.02 g/mol
LogP16.40
Rot. Bonds3

About N-phenanthren-2-yl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine

N-phenanthren-2-yl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine (PubChem CID 138476834) has the molecular formula C64H39NO2 and a molecular weight of 854.02 g/mol. Its IUPAC name is N-phenanthren-2-yl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine.

Molecular Properties

Compound NameN-phenanthren-2-yl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine
PubChem CID138476834
Molecular FormulaC64H39NO2
Molecular Weight854.02 g/mol
Exact Mass853.30
IUPAC NameN-phenanthren-2-yl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine
SMILESc1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2ccc(N(c3ccc4c(ccc5ccccc54)c3)c3cccc4c3-c3ccccc3C43c4ccccc4Oc4ccccc43)cc21
InChIInChI=1S/C64H39NO2/c1-2-17-44-40(16-1)32-33-41-38-42(34-36-45(41)44)65(43-35-37-47-46-18-3-5-20-49(46)64(56(47)39-43)53-24-9-13-30-60(53)67-61-31-14-10-25-54(61)64)57-27-15-26-55-62(57)48-19-4-6-21-50(48)63(55)51-22-7-11-28-58(51)66-59-29-12-8-23-52(59)63/h1-39H
InChIKeyJBYKZUDXGGSBSD-UHFFFAOYSA-N
XLogP16.40
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500854.02
LogP ≤ 516.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4-N-phenanthren-2-yl-2-N',2-N',4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915518
N-phenanthren-2-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4-amine
CID 170117119
N,N-di(spiro[fluorene-9,9'-xanthene]-4-yl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138476433
N-(9,9'-spirobi[fluorene]-2-yl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-4-amine
CID 138475996
N-phenanthren-2-yl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 90153947
N-(9,9'-spirobi[fluorene]-4-yl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138477749
N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[a]fluorene-11,9'-xanthene]-7-amine
CID 138477419
2,7-ditert-butyl-N-naphthalen-1-yl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,9'-xanthene]-2'-amine
CID 174282092
N-(9,9-diphenylfluoren-2-yl)-N-(9,9'-spirobi[fluorene]-2-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 135229488
N-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476554
N-(9,9-dimethylfluoren-3-yl)-N-(9,9'-spirobi[fluorene]-4-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]-2'-amine
CID 135229631
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

Frequently Asked Questions

What is the IUPAC name of N-phenanthren-2-yl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine?
The IUPAC name of N-phenanthren-2-yl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine (CID 138476834) is N-phenanthren-2-yl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine.
What is the SMILES notation for N-phenanthren-2-yl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine?
The canonical SMILES for N-phenanthren-2-yl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine is c1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2ccc(N(c3ccc4c(ccc5ccccc54)c3)c3cccc4c3-c3ccccc3C43c4ccccc4Oc4ccccc43)cc21.
What is the InChIKey of N-phenanthren-2-yl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine?
The InChIKey is JBYKZUDXGGSBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H39NO2/c1-2-17-44-40(16-1)32-33-41-38-42(34-36-45(41)44)65(43-35-37-47-46-18-3-5-20-49(46)64(56(47)39-43)53-24-9-13-30-60(53)67-61-31-14-10-25-54(61)64)57-27-15-26-55-62(57)48-19-4-6-21-50(48)63(55)51-22-7-11-28-58(51)66-59-29-12-8-23-52(59)63/h1-39H.
What are the key properties of N-phenanthren-2-yl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine?
N-phenanthren-2-yl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine has a molecular weight of 854.02 g/mol, XLogP of 16.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenanthren-2-yl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine is sourced from PubChem (CID 138476834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).