N-dibenzofuran-1-yl-N-(9,9-diphenylfluoren-4-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine

C70H43NO2 — CID 135229419

IUPACN-dibenzofuran-1-yl-N-(9,9-diphenylfluoren-4-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4cccc5c4-c4ccccc4C54c5ccc6ccccc6c5Oc5c4ccc4ccccc54)c4cccc5oc6ccccc6c45)cccc32)cc1
InChIInChI=1S/C70H43NO2/c1-3-22-46(23-4-1)69(47-24-5-2-6-25-47)53-31-14-11-28-50(53)64-55(69)33-17-35-59(64)71(61-37-19-39-63-66(61)52-30-13-16-38-62(52)72-63)60-36-18-34-56-65(60)51-29-12-15-32-54(51)70(56)57-42-40-44-20-7-9-26-48(44)67(57)73-68-49-27-10-8-21-45(49)41-43-58(68)70/h1-43H
InChIKeyKBUXTGNRNUCPRJ-UHFFFAOYSA-N
MW930.12 g/mol
LogP18.19
Rot. Bonds5

About N-dibenzofuran-1-yl-N-(9,9-diphenylfluoren-4-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine

N-dibenzofuran-1-yl-N-(9,9-diphenylfluoren-4-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine (PubChem CID 135229419) has the molecular formula C70H43NO2 and a molecular weight of 930.12 g/mol. Its IUPAC name is N-dibenzofuran-1-yl-N-(9,9-diphenylfluoren-4-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine.

Molecular Properties

Compound NameN-dibenzofuran-1-yl-N-(9,9-diphenylfluoren-4-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine
PubChem CID135229419
Molecular FormulaC70H43NO2
Molecular Weight930.12 g/mol
Exact Mass929.33
IUPAC NameN-dibenzofuran-1-yl-N-(9,9-diphenylfluoren-4-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4cccc5c4-c4ccccc4C54c5ccc6ccccc6c5Oc5c4ccc4ccccc54)c4cccc5oc6ccccc6c45)cccc32)cc1
InChIInChI=1S/C70H43NO2/c1-3-22-46(23-4-1)69(47-24-5-2-6-25-47)53-31-14-11-28-50(53)64-55(69)33-17-35-59(64)71(61-37-19-39-63-66(61)52-30-13-16-38-62(52)72-63)60-36-18-34-56-65(60)51-29-12-15-32-54(51)70(56)57-42-40-44-20-7-9-26-48(44)67(57)73-68-49-27-10-8-21-45(49)41-43-58(68)70/h1-43H
InChIKeyKBUXTGNRNUCPRJ-UHFFFAOYSA-N
XLogP18.19
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500930.12
LogP ≤ 518.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-dibenzofuran-1-yl-N-(9,9-diphenylfluoren-4-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine with MolForge

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Related Compounds

N-(9,9-diphenylfluoren-4-yl)-N-(9,9'-spirobi[fluorene]-4-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine
CID 135229820
N-dibenzofuran-2-yl-N-(9,9-diphenylfluoren-3-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine
CID 135229859
N-dibenzofuran-3-yl-N-(9,9-diphenylfluoren-4-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-amine
CID 135229394
N-(9,9-diphenylfluoren-2-yl)-N-(9,9'-spirobi[fluorene]-2-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine
CID 135229488
N-(4-dibenzofuran-3-ylphenyl)-9,9-diphenyl-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)fluoren-4-amine
CID 135229888
N-(9,9-diphenylfluoren-4-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 170119694
N-(4-dibenzofuran-1-ylphenyl)-9,9-diphenyl-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-ylphenyl)fluoren-2-amine
CID 135229539
N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 172544755
N-(9,9-diphenylfluoren-3-yl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-ylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 135229849
N-(4-dibenzofuran-1-ylphenyl)-9-[3-[4-[4-(4-dibenzofuran-1-yl-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)anilino)-9-phenylfluoren-9-yl]phenyl]phenyl]-9-phenyl-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)fluoren-3-amine
CID 154929960
N-(2-dibenzofuran-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine
CID 176583162
N-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine
CID 140918851

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-1-yl-N-(9,9-diphenylfluoren-4-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine?
The IUPAC name of N-dibenzofuran-1-yl-N-(9,9-diphenylfluoren-4-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine (CID 135229419) is N-dibenzofuran-1-yl-N-(9,9-diphenylfluoren-4-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine.
What is the SMILES notation for N-dibenzofuran-1-yl-N-(9,9-diphenylfluoren-4-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine?
The canonical SMILES for N-dibenzofuran-1-yl-N-(9,9-diphenylfluoren-4-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4cccc5c4-c4ccccc4C54c5ccc6ccccc6c5Oc5c4ccc4ccccc54)c4cccc5oc6ccccc6c45)cccc32)cc1.
What is the InChIKey of N-dibenzofuran-1-yl-N-(9,9-diphenylfluoren-4-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine?
The InChIKey is KBUXTGNRNUCPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H43NO2/c1-3-22-46(23-4-1)69(47-24-5-2-6-25-47)53-31-14-11-28-50(53)64-55(69)33-17-35-59(64)71(61-37-19-39-63-66(61)52-30-13-16-38-62(52)72-63)60-36-18-34-56-65(60)51-29-12-15-32-54(51)70(56)57-42-40-44-20-7-9-26-48(44)67(57)73-68-49-27-10-8-21-45(49)41-43-58(68)70/h1-43H.
What are the key properties of N-dibenzofuran-1-yl-N-(9,9-diphenylfluoren-4-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine?
N-dibenzofuran-1-yl-N-(9,9-diphenylfluoren-4-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine has a molecular weight of 930.12 g/mol, XLogP of 18.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-1-yl-N-(9,9-diphenylfluoren-4-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine is sourced from PubChem (CID 135229419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).