N-naphthalen-1-yl-N-(6-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-3'-amine

C55H35NO — CID 164794441

IUPACN-naphthalen-1-yl-N-(6-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-3'-amine
SMILESc1ccc(-c2ccc3cc(N(c4ccc5c(c4)Oc4ccccc4C54c5ccccc5-c5cccc6cccc4c56)c4cccc5ccccc45)ccc3c2)cc1
InChIInChI=1S/C55H35NO/c1-2-13-36(14-3-1)39-27-28-41-34-42(30-29-40(41)33-39)56(51-25-12-16-37-15-4-5-19-44(37)51)43-31-32-49-53(35-43)57-52-26-9-8-23-48(52)55(49)47-22-7-6-20-45(47)46-21-10-17-38-18-11-24-50(55)54(38)46/h1-35H
InChIKeyQYOYRAYDLITARY-UHFFFAOYSA-N
MW725.89 g/mol
LogP14.75
Rot. Bonds4

About N-naphthalen-1-yl-N-(6-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-3'-amine

N-naphthalen-1-yl-N-(6-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-3'-amine (PubChem CID 164794441) has the molecular formula C55H35NO and a molecular weight of 725.89 g/mol. Its IUPAC name is N-naphthalen-1-yl-N-(6-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-3'-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-N-(6-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-3'-amine
PubChem CID164794441
Molecular FormulaC55H35NO
Molecular Weight725.89 g/mol
Exact Mass725.27
IUPAC NameN-naphthalen-1-yl-N-(6-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-3'-amine
SMILESc1ccc(-c2ccc3cc(N(c4ccc5c(c4)Oc4ccccc4C54c5ccccc5-c5cccc6cccc4c56)c4cccc5ccccc45)ccc3c2)cc1
InChIInChI=1S/C55H35NO/c1-2-13-36(14-3-1)39-27-28-41-34-42(30-29-40(41)33-39)56(51-25-12-16-37-15-4-5-19-44(37)51)43-31-32-49-53(35-43)57-52-26-9-8-23-48(52)55(49)47-22-7-6-20-45(47)46-21-10-17-38-18-11-24-50(55)54(38)46/h1-35H
InChIKeyQYOYRAYDLITARY-UHFFFAOYSA-N
XLogP14.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.89
LogP ≤ 514.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-phenyl-N-(6-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-3'-amine
CID 164794128
N-(6-phenylnaphthalen-2-yl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138475982
methane;N-naphthalen-1-yl-N-(3-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-9-amine;N-naphthalen-1-yl-N-(6-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-9-amine;N-naphthalen-2-yl-N-(2-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-9-amine;N-naphthalen-2-yl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-9-amine
CID 164999699
N-naphthalen-1-yl-N-naphtho[1,2-b][1]benzofuran-9-ylspiro[benzo[a]phenalene-7,9'-xanthene]-3'-amine
CID 164794531
N-naphthalen-2-yl-3'-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 170240516
N-naphthalen-1-yl-3'-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-1-amine
CID 170240704
N-naphthalen-1-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-3-amine
CID 164794270
N-phenyl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine
CID 164794070
N-phenyl-N-(1-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine
CID 164793897
N-naphthalen-1-yl-N-(3'-naphthalen-2-ylspiro[fluorene-9,9'-xanthene]-2-yl)-9-phenylcarbazol-2-amine
CID 170240634
N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[c]fluorene-7,9'-xanthene]-1-amine
CID 138477387
N-naphthalen-1-yl-N-(4-phenylnaphthalen-1-yl)spiro[fluorene-9,9'-xanthene]-3-amine
CID 167178058

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-N-(6-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-3'-amine?
The IUPAC name of N-naphthalen-1-yl-N-(6-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-3'-amine (CID 164794441) is N-naphthalen-1-yl-N-(6-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-3'-amine.
What is the SMILES notation for N-naphthalen-1-yl-N-(6-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-3'-amine?
The canonical SMILES for N-naphthalen-1-yl-N-(6-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-3'-amine is c1ccc(-c2ccc3cc(N(c4ccc5c(c4)Oc4ccccc4C54c5ccccc5-c5cccc6cccc4c56)c4cccc5ccccc45)ccc3c2)cc1.
What is the InChIKey of N-naphthalen-1-yl-N-(6-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-3'-amine?
The InChIKey is QYOYRAYDLITARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35NO/c1-2-13-36(14-3-1)39-27-28-41-34-42(30-29-40(41)33-39)56(51-25-12-16-37-15-4-5-19-44(37)51)43-31-32-49-53(35-43)57-52-26-9-8-23-48(52)55(49)47-22-7-6-20-45(47)46-21-10-17-38-18-11-24-50(55)54(38)46/h1-35H.
What are the key properties of N-naphthalen-1-yl-N-(6-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-3'-amine?
N-naphthalen-1-yl-N-(6-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-3'-amine has a molecular weight of 725.89 g/mol, XLogP of 14.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-N-(6-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-3'-amine is sourced from PubChem (CID 164794441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).