N-phenyl-N-[5-[(15S)-spiro[14,23-dioxahexacyclo[11.10.0.03,11.04,9.015,22.016,21]tricosa-1(13),2,4,6,8,11,17,19-octaene-10,9'-3,4-dihydrofluorene]-20-yl]cyclohexa-1,5-dien-1-yl]dibenzofuran-4-amine

C57H41NO3 — CID 138581697

IUPACN-phenyl-N-[5-[(15S)-spiro[14,23-dioxahexacyclo[11.10.0.03,11.04,9.015,22.016,21]tricosa-1(13),2,4,6,8,11,17,19-octaene-10,9'-3,4-dihydrofluorene]-20-yl]cyclohexa-1,5-dien-1-yl]dibenzofuran-4-amine
SMILESC1=CC2C(C(C3=CC(N(c4ccccc4)c4cccc5c4oc4ccccc45)=CCC3)=C1)C1Oc3cc4c(cc3O[C@@H]21)C1(C2=C(CCC=C2)c2ccccc21)c1ccccc1-4
InChIInChI=1S/C57H41NO3/c1-2-16-35(17-3-1)58(49-29-14-24-42-41-22-7-11-30-50(41)59-54(42)49)36-18-12-15-34(31-36)37-23-13-25-43-53(37)56-55(43)60-52-33-48-44(32-51(52)61-56)40-21-6-10-28-47(40)57(48)45-26-8-4-19-38(45)39-20-5-9-27-46(39)57/h1-4,6-11,13-14,16-19,21-33,43,53,55-56H,5,12,15,20H2/t43?,53?,55-,56?,57?/m0/s1
InChIKeyDSZNKEUMMBVTLV-ZXAVIZCISA-N
MW787.96 g/mol
LogP13.71
Rot. Bonds4

About N-phenyl-N-[5-[(15S)-spiro[14,23-dioxahexacyclo[11.10.0.03,11.04,9.015,22.016,21]tricosa-1(13),2,4,6,8,11,17,19-octaene-10,9'-3,4-dihydrofluorene]-20-yl]cyclohexa-1,5-dien-1-yl]dibenzofuran-4-amine

N-phenyl-N-[5-[(15S)-spiro[14,23-dioxahexacyclo[11.10.0.03,11.04,9.015,22.016,21]tricosa-1(13),2,4,6,8,11,17,19-octaene-10,9'-3,4-dihydrofluorene]-20-yl]cyclohexa-1,5-dien-1-yl]dibenzofuran-4-amine (PubChem CID 138581697) has the molecular formula C57H41NO3 and a molecular weight of 787.96 g/mol. Its IUPAC name is N-phenyl-N-[5-[(15S)-spiro[14,23-dioxahexacyclo[11.10.0.03,11.04,9.015,22.016,21]tricosa-1(13),2,4,6,8,11,17,19-octaene-10,9'-3,4-dihydrofluorene]-20-yl]cyclohexa-1,5-dien-1-yl]dibenzofuran-4-amine.

Molecular Properties

Compound NameN-phenyl-N-[5-[(15S)-spiro[14,23-dioxahexacyclo[11.10.0.03,11.04,9.015,22.016,21]tricosa-1(13),2,4,6,8,11,17,19-octaene-10,9'-3,4-dihydrofluorene]-20-yl]cyclohexa-1,5-dien-1-yl]dibenzofuran-4-amine
PubChem CID138581697
Molecular FormulaC57H41NO3
Molecular Weight787.96 g/mol
Exact Mass787.31
IUPAC NameN-phenyl-N-[5-[(15S)-spiro[14,23-dioxahexacyclo[11.10.0.03,11.04,9.015,22.016,21]tricosa-1(13),2,4,6,8,11,17,19-octaene-10,9'-3,4-dihydrofluorene]-20-yl]cyclohexa-1,5-dien-1-yl]dibenzofuran-4-amine
SMILESC1=CC2C(C(C3=CC(N(c4ccccc4)c4cccc5c4oc4ccccc45)=CCC3)=C1)C1Oc3cc4c(cc3O[C@@H]21)C1(C2=C(CCC=C2)c2ccccc21)c1ccccc1-4
InChIInChI=1S/C57H41NO3/c1-2-16-35(17-3-1)58(49-29-14-24-42-41-22-7-11-30-50(41)59-54(42)49)36-18-12-15-34(31-36)37-23-13-25-43-53(37)56-55(43)60-52-33-48-44(32-51(52)61-56)40-21-6-10-28-47(40)57(48)45-26-8-4-19-38(45)39-20-5-9-27-46(39)57/h1-4,6-11,13-14,16-19,21-33,43,53,55-56H,5,12,15,20H2/t43?,53?,55-,56?,57?/m0/s1
InChIKeyDSZNKEUMMBVTLV-ZXAVIZCISA-N
XLogP13.71
TPSA34.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500787.96
LogP ≤ 513.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-phenyl-N-[5-[(15S)-spiro[14,23-dioxahexacyclo[11.10.0.03,11.04,9.015,22.016,21]tricosa-1(13),2,4,6,8,11,17,19-octaene-10,9'-3,4-dihydrofluorene]-20-yl]cyclohexa-1,5-dien-1-yl]dibenzofuran-4-amine with MolForge

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Related Compounds

N-phenyl-N-[4-(2-phenylphenyl)phenyl]spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),7,11,16,18-heptaene-10,9'-fluorene]-16-amine
CID 138583047
4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-(4-spiro[3,4-dihydrofluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-ylphenyl)aniline
CID 171799116
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-phenyl-10,11-dihydrofluoreno[4,3-b][1]benzofuran-1-amine
CID 138489071
4-[4-[9-(4-phenylphenyl)-3,4-dihydrofluoren-9-yl]phenyl]dibenzofuran
CID 66656897
N-dibenzofuran-4-yl-N-(9,9-diphenylfluoren-3-yl)dibenzofuran-4-amine
CID 121424846
N-dibenzofuran-2-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-dibenzofuran-4-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-phenyl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 158083207
N-cyclohexa-1,5-dien-1-yl-N-(4-dibenzofuran-3-ylphenyl)spiro[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]-16-amine
CID 138581681
N-phenyl-N-[4-[4-(N-spiro[5,6-dihydrofluorene-9,9'-fluorene]-2-ylanilino)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 143240280
3-N-dibenzofuran-4-yl-3-N,9-N',9-N'-triphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-3,9'-diamine
CID 134530057
N-[4-(9-dibenzofuran-4-yl-3,4-dihydrofluoren-9-yl)phenyl]-N-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-4-phenylaniline
CID 144960334
N-naphthalen-2-yl-N-phenylspiro[3,4-dihydrofluorene-9,9'-fluorene]-4'-amine
CID 145291040
N-(4-dibenzofuran-4-ylphenyl)-N-phenylspiro[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 138582786

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[5-[(15S)-spiro[14,23-dioxahexacyclo[11.10.0.03,11.04,9.015,22.016,21]tricosa-1(13),2,4,6,8,11,17,19-octaene-10,9'-3,4-dihydrofluorene]-20-yl]cyclohexa-1,5-dien-1-yl]dibenzofuran-4-amine?
The IUPAC name of N-phenyl-N-[5-[(15S)-spiro[14,23-dioxahexacyclo[11.10.0.03,11.04,9.015,22.016,21]tricosa-1(13),2,4,6,8,11,17,19-octaene-10,9'-3,4-dihydrofluorene]-20-yl]cyclohexa-1,5-dien-1-yl]dibenzofuran-4-amine (CID 138581697) is N-phenyl-N-[5-[(15S)-spiro[14,23-dioxahexacyclo[11.10.0.03,11.04,9.015,22.016,21]tricosa-1(13),2,4,6,8,11,17,19-octaene-10,9'-3,4-dihydrofluorene]-20-yl]cyclohexa-1,5-dien-1-yl]dibenzofuran-4-amine.
What is the SMILES notation for N-phenyl-N-[5-[(15S)-spiro[14,23-dioxahexacyclo[11.10.0.03,11.04,9.015,22.016,21]tricosa-1(13),2,4,6,8,11,17,19-octaene-10,9'-3,4-dihydrofluorene]-20-yl]cyclohexa-1,5-dien-1-yl]dibenzofuran-4-amine?
The canonical SMILES for N-phenyl-N-[5-[(15S)-spiro[14,23-dioxahexacyclo[11.10.0.03,11.04,9.015,22.016,21]tricosa-1(13),2,4,6,8,11,17,19-octaene-10,9'-3,4-dihydrofluorene]-20-yl]cyclohexa-1,5-dien-1-yl]dibenzofuran-4-amine is C1=CC2C(C(C3=CC(N(c4ccccc4)c4cccc5c4oc4ccccc45)=CCC3)=C1)C1Oc3cc4c(cc3O[C@@H]21)C1(C2=C(CCC=C2)c2ccccc21)c1ccccc1-4.
What is the InChIKey of N-phenyl-N-[5-[(15S)-spiro[14,23-dioxahexacyclo[11.10.0.03,11.04,9.015,22.016,21]tricosa-1(13),2,4,6,8,11,17,19-octaene-10,9'-3,4-dihydrofluorene]-20-yl]cyclohexa-1,5-dien-1-yl]dibenzofuran-4-amine?
The InChIKey is DSZNKEUMMBVTLV-ZXAVIZCISA-N. The full InChI is InChI=1S/C57H41NO3/c1-2-16-35(17-3-1)58(49-29-14-24-42-41-22-7-11-30-50(41)59-54(42)49)36-18-12-15-34(31-36)37-23-13-25-43-53(37)56-55(43)60-52-33-48-44(32-51(52)61-56)40-21-6-10-28-47(40)57(48)45-26-8-4-19-38(45)39-20-5-9-27-46(39)57/h1-4,6-11,13-14,16-19,21-33,43,53,55-56H,5,12,15,20H2/t43?,53?,55-,56?,57?/m0/s1.
What are the key properties of N-phenyl-N-[5-[(15S)-spiro[14,23-dioxahexacyclo[11.10.0.03,11.04,9.015,22.016,21]tricosa-1(13),2,4,6,8,11,17,19-octaene-10,9'-3,4-dihydrofluorene]-20-yl]cyclohexa-1,5-dien-1-yl]dibenzofuran-4-amine?
N-phenyl-N-[5-[(15S)-spiro[14,23-dioxahexacyclo[11.10.0.03,11.04,9.015,22.016,21]tricosa-1(13),2,4,6,8,11,17,19-octaene-10,9'-3,4-dihydrofluorene]-20-yl]cyclohexa-1,5-dien-1-yl]dibenzofuran-4-amine has a molecular weight of 787.96 g/mol, XLogP of 13.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[5-[(15S)-spiro[14,23-dioxahexacyclo[11.10.0.03,11.04,9.015,22.016,21]tricosa-1(13),2,4,6,8,11,17,19-octaene-10,9'-3,4-dihydrofluorene]-20-yl]cyclohexa-1,5-dien-1-yl]dibenzofuran-4-amine is sourced from PubChem (CID 138581697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).