N-naphthalen-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-amine

C59H39NOSi — CID 152799097

IUPACN-naphthalen-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-amine
SMILESc1ccc(C2(c3ccc(N(c4ccc5c(c4)[Si]4(c6ccccc6Oc6ccccc64)c4ccccc4-5)c4cccc5ccccc45)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C59H39NOSi/c1-2-19-41(20-3-1)59(50-25-9-6-22-46(50)47-23-7-10-26-51(47)59)42-33-35-43(36-34-42)60(52-27-16-18-40-17-4-5-21-45(40)52)44-37-38-49-48-24-8-13-30-55(48)62(58(49)39-44)56-31-14-11-28-53(56)61-54-29-12-15-32-57(54)62/h1-39H
InChIKeySNAGILADYHAKGA-UHFFFAOYSA-N
MW806.05 g/mol
LogP12.14
Rot. Bonds5

About N-naphthalen-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-amine

N-naphthalen-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-amine (PubChem CID 152799097) has the molecular formula C59H39NOSi and a molecular weight of 806.05 g/mol. Its IUPAC name is N-naphthalen-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-amine
PubChem CID152799097
Molecular FormulaC59H39NOSi
Molecular Weight806.05 g/mol
Exact Mass805.28
IUPAC NameN-naphthalen-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-amine
SMILESc1ccc(C2(c3ccc(N(c4ccc5c(c4)[Si]4(c6ccccc6Oc6ccccc64)c4ccccc4-5)c4cccc5ccccc45)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C59H39NOSi/c1-2-19-41(20-3-1)59(50-25-9-6-22-46(50)47-23-7-10-26-51(47)59)42-33-35-43(36-34-42)60(52-27-16-18-40-17-4-5-21-45(40)52)44-37-38-49-48-24-8-13-30-55(48)62(58(49)39-44)56-31-14-11-28-53(56)61-54-29-12-15-32-57(54)62/h1-39H
InChIKeySNAGILADYHAKGA-UHFFFAOYSA-N
XLogP12.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500806.05
LogP ≤ 512.14
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-naphthalen-1-yl-5',5'-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]spiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-2-amine
CID 147268027
N-naphthalen-1-yl-5,5-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]spiro[benzo[b][1]benzosiline-10,9'-xanthene]-2'-amine
CID 148623158
N-(9,9-diphenylfluoren-2-yl)-N-phenylspiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3-amine;N-(9,9-diphenylfluoren-4-yl)-N-phenylspiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3-amine;N-(3,4-diphenylphenyl)-N-phenylspiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3-amine;N-(3,5-diphenylphenyl)-N-phenylspiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3-amine;N-(4-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3-amine
CID 158718516
N-naphthalen-1-yl-9,9-diphenyl-N-[9-phenyl-9-(3-phenylphenyl)fluoren-2-yl]fluoren-2-amine
CID 168853270
N-(4-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3-amine
CID 147512340
N-naphthalen-1-yl-9,9-diphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-1-yl]phenyl]fluoren-2-amine
CID 59221522
9-(4-ethenylphenyl)-N-[4-[4-[4-[[9-(4-ethenylphenyl)-9-phenylfluoren-2-yl]-naphthalen-1-ylamino]phenyl]phenyl]phenyl]-N-naphthalen-1-yl-9-phenylfluoren-2-amine
CID 170070824
N-[4-(9,9-diphenylxanthen-2-yl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 118134285
N,N-dinaphthalen-1-yl-9,9-diphenylspiro[anthracene-10,9'-fluorene]-3'-amine
CID 146247516
N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-4-amine
CID 135271681
11-N',17-N'-dinaphthalen-1-yl-11-N',17-N'-diphenylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine
CID 130262417
9,9-dimethyl-N-naphthalen-1-yl-N-[4-phenyl-3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]fluoren-2-amine
CID 169292946

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-amine?
The IUPAC name of N-naphthalen-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-amine (CID 152799097) is N-naphthalen-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-amine.
What is the SMILES notation for N-naphthalen-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-amine?
The canonical SMILES for N-naphthalen-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-amine is c1ccc(C2(c3ccc(N(c4ccc5c(c4)[Si]4(c6ccccc6Oc6ccccc64)c4ccccc4-5)c4cccc5ccccc45)cc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of N-naphthalen-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-amine?
The InChIKey is SNAGILADYHAKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H39NOSi/c1-2-19-41(20-3-1)59(50-25-9-6-22-46(50)47-23-7-10-26-51(47)59)42-33-35-43(36-34-42)60(52-27-16-18-40-17-4-5-21-45(40)52)44-37-38-49-48-24-8-13-30-55(48)62(58(49)39-44)56-31-14-11-28-53(56)61-54-29-12-15-32-57(54)62/h1-39H.
What are the key properties of N-naphthalen-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-amine?
N-naphthalen-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-amine has a molecular weight of 806.05 g/mol, XLogP of 12.14, 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-N-[4-(9-phenylfluoren-9-yl)phenyl]spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-amine is sourced from PubChem (CID 152799097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).