N-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-amine

C59H37NO2 — CID 138581435

IUPACN-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc5ccccc5c4)c4cccc5c4Oc4c(ccc6c4-c4ccccc4C64c6ccccc6-c6ccccc64)O5)cc3)cc2)cc1
InChIInChI=1S/C59H37NO2/c1-2-13-38(14-3-1)40-25-27-41(28-26-40)42-29-32-44(33-30-42)60(45-34-31-39-15-4-5-16-43(39)37-45)53-23-12-24-54-57(53)62-58-55(61-54)36-35-52-56(58)48-19-8-11-22-51(48)59(52)49-20-9-6-17-46(49)47-18-7-10-21-50(47)59/h1-37H
InChIKeyHYRBHHOHQAKYMI-UHFFFAOYSA-N
MW791.95 g/mol
LogP15.89
Rot. Bonds5

About N-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-amine

N-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-amine (PubChem CID 138581435) has the molecular formula C59H37NO2 and a molecular weight of 791.95 g/mol. Its IUPAC name is N-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-amine
PubChem CID138581435
Molecular FormulaC59H37NO2
Molecular Weight791.95 g/mol
Exact Mass791.28
IUPAC NameN-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc5ccccc5c4)c4cccc5c4Oc4c(ccc6c4-c4ccccc4C64c6ccccc6-c6ccccc64)O5)cc3)cc2)cc1
InChIInChI=1S/C59H37NO2/c1-2-13-38(14-3-1)40-25-27-41(28-26-40)42-29-32-44(33-30-42)60(45-34-31-39-15-4-5-16-43(39)37-45)53-23-12-24-54-57(53)62-58-55(61-54)36-35-52-56(58)48-19-8-11-22-51(48)59(52)49-20-9-6-17-46(49)47-18-7-10-21-50(47)59/h1-37H
InChIKeyHYRBHHOHQAKYMI-UHFFFAOYSA-N
XLogP15.89
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.95
LogP ≤ 515.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[c]fluorene-7,9'-xanthene]-1-amine
CID 138477387
N,N-bis(4-phenylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-10'-amine
CID 129309035
N-(6-phenylnaphthalen-2-yl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138475982
N-(2-phenylphenyl)-N-(7,9,9-triphenylfluoren-2-yl)spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-amine
CID 138581589
N-(3,5-diphenylphenyl)-N-(2-phenylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-amine
CID 138581592
N-(4-phenylphenyl)-N-spiro[benzo[c]fluorene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-12-amine
CID 130462590
N-[4-[8-(4-naphthalen-1-ylphenyl)indeno[1,2-a]oxanthren-8-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 166005616
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine;N-naphthalen-2-yl-9,9-diphenyl-N-(4-phenylphenyl)xanthen-4-amine;N-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine
CID 161132857
4-N,4-N'-dinaphthalen-2-yl-4-N,4-N'-diphenylspiro[fluorene-9,9'-xanthene]-4,4'-diamine
CID 167178088
N-naphthalen-2-yl-3'-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 170240516
N-naphthalen-2-yl-4'-[4-[4-[naphthalen-1-yl(9,9'-spirobi[fluorene]-3-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 167177958
N,N-dinaphthalen-2-ylspiro[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]-19-amine
CID 138582863

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-amine?
The IUPAC name of N-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-amine (CID 138581435) is N-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-amine.
What is the SMILES notation for N-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-amine?
The canonical SMILES for N-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccc5ccccc5c4)c4cccc5c4Oc4c(ccc6c4-c4ccccc4C64c6ccccc6-c6ccccc64)O5)cc3)cc2)cc1.
What is the InChIKey of N-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-amine?
The InChIKey is HYRBHHOHQAKYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H37NO2/c1-2-13-38(14-3-1)40-25-27-41(28-26-40)42-29-32-44(33-30-42)60(45-34-31-39-15-4-5-16-43(39)37-45)53-23-12-24-54-57(53)62-58-55(61-54)36-35-52-56(58)48-19-8-11-22-51(48)59(52)49-20-9-6-17-46(49)47-18-7-10-21-50(47)59/h1-37H.
What are the key properties of N-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-amine?
N-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-amine has a molecular weight of 791.95 g/mol, XLogP of 15.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-amine is sourced from PubChem (CID 138581435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).