N-naphthalen-1-yl-3'-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-1-amine

C53H35NO — CID 170240704

IUPACN-naphthalen-1-yl-3'-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-1-amine
SMILESc1ccc(-c2ccc(N(c3cccc4c3C3(c5ccccc5Oc5cc(-c6ccccc6)ccc53)c3ccccc3-4)c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C53H35NO/c1-3-15-36(16-4-1)38-29-32-41(33-30-38)54(48-26-13-20-39-19-7-8-21-42(39)48)49-27-14-23-44-43-22-9-10-24-45(43)53(52(44)49)46-25-11-12-28-50(46)55-51-35-40(31-34-47(51)53)37-17-5-2-6-18-37/h1-35H
InChIKeyOBZMVAOGOXGNHF-UHFFFAOYSA-N
MW701.87 g/mol
LogP14.11
Rot. Bonds5

About N-naphthalen-1-yl-3'-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-1-amine

N-naphthalen-1-yl-3'-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-1-amine (PubChem CID 170240704) has the molecular formula C53H35NO and a molecular weight of 701.87 g/mol. Its IUPAC name is N-naphthalen-1-yl-3'-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-1-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-3'-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-1-amine
PubChem CID170240704
Molecular FormulaC53H35NO
Molecular Weight701.87 g/mol
Exact Mass701.27
IUPAC NameN-naphthalen-1-yl-3'-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-1-amine
SMILESc1ccc(-c2ccc(N(c3cccc4c3C3(c5ccccc5Oc5cc(-c6ccccc6)ccc53)c3ccccc3-4)c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C53H35NO/c1-3-15-36(16-4-1)38-29-32-41(33-30-38)54(48-26-13-20-39-19-7-8-21-42(39)48)49-27-14-23-44-43-22-9-10-24-45(43)53(52(44)49)46-25-11-12-28-50(46)55-51-35-40(31-34-47(51)53)37-17-5-2-6-18-37/h1-35H
InChIKeyOBZMVAOGOXGNHF-UHFFFAOYSA-N
XLogP14.11
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.87
LogP ≤ 514.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-phenyl-N-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-9,9'-spirobi[fluorene]-1-amine
CID 167178064
N-naphthalen-1-yl-N-(6-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-3'-amine
CID 164794441
N-(2-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)naphthalen-1-amine
CID 167176862
N-naphthalen-1-yl-N-(4-phenylnaphthalen-1-yl)spiro[fluorene-9,9'-xanthene]-3-amine
CID 167178058
N-[4-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 156664766
N-phenyl-N-(4-spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,9'-fluorene]-2'-ylphenyl)naphthalen-1-amine
CID 129309024
N-[4-(9,9-diphenylxanthen-2-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 118134260
N-naphthalen-1-yl-N-(4-phenylphenyl)spiro[benzo[a]fluorene-11,9'-fluorene]-2-amine
CID 145144966
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-naphthalen-2-ylphenyl)-N-(9,9'-spirobi[fluorene]-1-yl)naphtho[2,1-b][1]benzofuran-8-amine
CID 171730497
2,4-diphenyl-6-[3-(3-spiro[benzo[a]fluorene-11,9'-xanthene]-3'-ylphenyl)phenyl]-1,3,5-triazine
CID 166825712
N-naphthalen-1-yl-N-(4-phenylphenyl)spiro[benzo[b]fluorene-11,9'-fluorene]-9-amine
CID 145144949

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-3'-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-1-amine?
The IUPAC name of N-naphthalen-1-yl-3'-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-1-amine (CID 170240704) is N-naphthalen-1-yl-3'-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-1-amine.
What is the SMILES notation for N-naphthalen-1-yl-3'-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-1-amine?
The canonical SMILES for N-naphthalen-1-yl-3'-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-1-amine is c1ccc(-c2ccc(N(c3cccc4c3C3(c5ccccc5Oc5cc(-c6ccccc6)ccc53)c3ccccc3-4)c3cccc4ccccc34)cc2)cc1.
What is the InChIKey of N-naphthalen-1-yl-3'-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-1-amine?
The InChIKey is OBZMVAOGOXGNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35NO/c1-3-15-36(16-4-1)38-29-32-41(33-30-38)54(48-26-13-20-39-19-7-8-21-42(39)48)49-27-14-23-44-43-22-9-10-24-45(43)53(52(44)49)46-25-11-12-28-50(46)55-51-35-40(31-34-47(51)53)37-17-5-2-6-18-37/h1-35H.
What are the key properties of N-naphthalen-1-yl-3'-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-1-amine?
N-naphthalen-1-yl-3'-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-1-amine has a molecular weight of 701.87 g/mol, XLogP of 14.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-3'-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-1-amine is sourced from PubChem (CID 170240704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).