N,N-bis(4-naphthalen-1-ylphenyl)spiro[5H-benzo[b][1]benzosiline-10,9'-xanthene]-4-amine

C57H39NOSi — CID 147466070

IUPACN,N-bis(4-naphthalen-1-ylphenyl)spiro[5H-benzo[b][1]benzosiline-10,9'-xanthene]-4-amine
SMILESc1ccc2c(c1)Oc1ccccc1C21c2ccccc2[SiH2]c2c(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc(-c4cccc5ccccc45)cc3)cccc21
InChIInChI=1S/C57H39NOSi/c1-3-18-44-38(14-1)16-11-20-46(44)40-30-34-42(35-31-40)58(43-36-32-41(33-37-43)47-21-12-17-39-15-2-4-19-45(39)47)52-26-13-25-51-56(52)60-55-29-10-7-24-50(55)57(51)48-22-5-8-27-53(48)59-54-28-9-6-23-49(54)57/h1-37H,60H2
InChIKeyFAVONNFXZWJRSK-UHFFFAOYSA-N
MW782.03 g/mol
LogP12.72
Rot. Bonds5

About N,N-bis(4-naphthalen-1-ylphenyl)spiro[5H-benzo[b][1]benzosiline-10,9'-xanthene]-4-amine

N,N-bis(4-naphthalen-1-ylphenyl)spiro[5H-benzo[b][1]benzosiline-10,9'-xanthene]-4-amine (PubChem CID 147466070) has the molecular formula C57H39NOSi and a molecular weight of 782.03 g/mol. Its IUPAC name is N,N-bis(4-naphthalen-1-ylphenyl)spiro[5H-benzo[b][1]benzosiline-10,9'-xanthene]-4-amine.

Molecular Properties

Compound NameN,N-bis(4-naphthalen-1-ylphenyl)spiro[5H-benzo[b][1]benzosiline-10,9'-xanthene]-4-amine
PubChem CID147466070
Molecular FormulaC57H39NOSi
Molecular Weight782.03 g/mol
Exact Mass781.28
IUPAC NameN,N-bis(4-naphthalen-1-ylphenyl)spiro[5H-benzo[b][1]benzosiline-10,9'-xanthene]-4-amine
SMILESc1ccc2c(c1)Oc1ccccc1C21c2ccccc2[SiH2]c2c(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc(-c4cccc5ccccc45)cc3)cccc21
InChIInChI=1S/C57H39NOSi/c1-3-18-44-38(14-1)16-11-20-46(44)40-30-34-42(35-31-40)58(43-36-32-41(33-37-43)47-21-12-17-39-15-2-4-19-45(39)47)52-26-13-25-51-56(52)60-55-29-10-7-24-50(55)57(51)48-22-5-8-27-53(48)59-54-28-9-6-23-49(54)57/h1-37H,60H2
InChIKeyFAVONNFXZWJRSK-UHFFFAOYSA-N
XLogP12.72
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.03
LogP ≤ 512.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2-amine
CID 170116159
9,9-dinaphthalen-1-yl-N,N-bis(4-naphthalen-1-ylphenyl)fluoren-4-amine
CID 169019816
N-phenyl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-amine
CID 139355134
N-(2-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)naphthalen-1-amine
CID 167176862
N-[4-(9,9-diphenylxanthen-4-yl)phenyl]-N-phenylnaphthalen-1-amine
CID 118134188
N-phenyl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine
CID 164794070
N-naphthalen-1-yl-N-(4-phenylnaphthalen-1-yl)spiro[fluorene-9,9'-xanthene]-3-amine
CID 167178058
N-naphthalen-1-yl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-3-amine
CID 164794401
N,N-bis(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine;N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine;N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine;N-phenyl-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine
CID 164949149
N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-N-phenylnaphthalen-1-amine
CID 118133946
N-[4-(9,9-diphenylxanthen-2-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 118134260
N-(4-dibenzo-p-dioxin-1-ylphenyl)-9,9-dimethyl-N-naphthalen-1-ylxanthen-4-amine
CID 118134072

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-naphthalen-1-ylphenyl)spiro[5H-benzo[b][1]benzosiline-10,9'-xanthene]-4-amine?
The IUPAC name of N,N-bis(4-naphthalen-1-ylphenyl)spiro[5H-benzo[b][1]benzosiline-10,9'-xanthene]-4-amine (CID 147466070) is N,N-bis(4-naphthalen-1-ylphenyl)spiro[5H-benzo[b][1]benzosiline-10,9'-xanthene]-4-amine.
What is the SMILES notation for N,N-bis(4-naphthalen-1-ylphenyl)spiro[5H-benzo[b][1]benzosiline-10,9'-xanthene]-4-amine?
The canonical SMILES for N,N-bis(4-naphthalen-1-ylphenyl)spiro[5H-benzo[b][1]benzosiline-10,9'-xanthene]-4-amine is c1ccc2c(c1)Oc1ccccc1C21c2ccccc2[SiH2]c2c(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc(-c4cccc5ccccc45)cc3)cccc21.
What is the InChIKey of N,N-bis(4-naphthalen-1-ylphenyl)spiro[5H-benzo[b][1]benzosiline-10,9'-xanthene]-4-amine?
The InChIKey is FAVONNFXZWJRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H39NOSi/c1-3-18-44-38(14-1)16-11-20-46(44)40-30-34-42(35-31-40)58(43-36-32-41(33-37-43)47-21-12-17-39-15-2-4-19-45(39)47)52-26-13-25-51-56(52)60-55-29-10-7-24-50(55)57(51)48-22-5-8-27-53(48)59-54-28-9-6-23-49(54)57/h1-37H,60H2.
What are the key properties of N,N-bis(4-naphthalen-1-ylphenyl)spiro[5H-benzo[b][1]benzosiline-10,9'-xanthene]-4-amine?
N,N-bis(4-naphthalen-1-ylphenyl)spiro[5H-benzo[b][1]benzosiline-10,9'-xanthene]-4-amine has a molecular weight of 782.03 g/mol, XLogP of 12.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-naphthalen-1-ylphenyl)spiro[5H-benzo[b][1]benzosiline-10,9'-xanthene]-4-amine is sourced from PubChem (CID 147466070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).