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

C70H43NO2 — CID 135229859

IUPACN-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
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3cc(N(c4ccc5oc6ccccc6c5c4)c4cccc5c4-c4ccccc4C54c5ccc6ccccc6c5Oc5c4ccc4ccccc54)ccc32)cc1
InChIInChI=1S/C70H43NO2/c1-3-20-46(21-4-1)69(47-22-5-2-6-23-47)57-29-14-11-26-52(57)55-42-48(36-40-59(55)69)71(49-37-41-65-56(43-49)53-27-13-16-33-64(53)72-65)63-32-17-31-60-66(63)54-28-12-15-30-58(54)70(60)61-38-34-44-18-7-9-24-50(44)67(61)73-68-51-25-10-8-19-45(51)35-39-62(68)70/h1-43H
InChIKeyUXKLKEGXRSLYJE-UHFFFAOYSA-N
MW930.12 g/mol
LogP18.19
Rot. Bonds5

About 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

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 (PubChem CID 135229859) has the molecular formula C70H43NO2 and a molecular weight of 930.12 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID135229859
Molecular FormulaC70H43NO2
Molecular Weight930.12 g/mol
Exact Mass929.33
IUPAC NameN-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
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3cc(N(c4ccc5oc6ccccc6c5c4)c4cccc5c4-c4ccccc4C54c5ccc6ccccc6c5Oc5c4ccc4ccccc54)ccc32)cc1
InChIInChI=1S/C70H43NO2/c1-3-20-46(21-4-1)69(47-22-5-2-6-23-47)57-29-14-11-26-52(57)55-42-48(36-40-59(55)69)71(49-37-41-65-56(43-49)53-27-13-16-33-64(53)72-65)63-32-17-31-60-66(63)54-28-12-15-30-58(54)70(60)61-38-34-44-18-7-9-24-50(44)67(61)73-68-51-25-10-8-19-45(51)35-39-62(68)70/h1-43H
InChIKeyUXKLKEGXRSLYJE-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-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 with MolForge

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Related Compounds

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-(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-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-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
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-(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-(9,9-dimethylfluoren-3-yl)-N-(9,9'-spirobi[fluorene]-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 135229752
N-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-10-amine
CID 170272344
N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-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 135229541
N-(9,9-dimethylfluoren-3-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]-2'-amine
CID 135229631
N-(9,9-dimethylfluoren-4-yl)-N-(9,9'-spirobi[fluorene]-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 135229808

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(C2(c3ccccc3)c3ccccc3-c3cc(N(c4ccc5oc6ccccc6c5c4)c4cccc5c4-c4ccccc4C54c5ccc6ccccc6c5Oc5c4ccc4ccccc54)ccc32)cc1.
What is the InChIKey of 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?
The InChIKey is UXKLKEGXRSLYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H43NO2/c1-3-20-46(21-4-1)69(47-22-5-2-6-23-47)57-29-14-11-26-52(57)55-42-48(36-40-59(55)69)71(49-37-41-65-56(43-49)53-27-13-16-33-64(53)72-65)63-32-17-31-60-66(63)54-28-12-15-30-58(54)70(60)61-38-34-44-18-7-9-24-50(44)67(61)73-68-51-25-10-8-19-45(51)35-39-62(68)70/h1-43H.
What are the key properties of 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?
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 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-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 is sourced from PubChem (CID 135229859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).