N-[3-(15-oxapentacyclo[21.4.0.02,7.09,14.016,21]heptacosa-1(27),2(7),3,5,9,11,13,16,18,20,23,25-dodecaen-3-yl)phenyl]-3-phenyl-N-(4-spiro[5,6-dihydrofluorene-9,9'-xanthene]-3-ylphenyl)aniline

C75H53NO2 — CID 146658921

IUPACN-[3-(15-oxapentacyclo[21.4.0.02,7.09,14.016,21]heptacosa-1(27),2(7),3,5,9,11,13,16,18,20,23,25-dodecaen-3-yl)phenyl]-3-phenyl-N-(4-spiro[5,6-dihydrofluorene-9,9'-xanthene]-3-ylphenyl)aniline
SMILESC1=CC2=C(CC1)c1cc(-c3ccc(N(c4cccc(-c5ccccc5)c4)c4cccc(-c5cccc6c5-c5ccccc5Cc5ccccc5Oc5ccccc5C6)c4)cc3)ccc1C21c2ccccc2Oc2ccccc21
InChIInChI=1S/C75H53NO2/c1-2-19-50(20-3-1)52-24-16-27-60(47-52)76(59-42-39-51(40-43-59)53-41-44-67-65(49-53)64-30-8-9-32-66(64)75(67)68-33-10-14-37-72(68)78-73-38-15-11-34-69(73)75)61-28-17-25-55(48-61)63-31-18-26-58-46-57-23-6-13-36-71(57)77-70-35-12-5-22-56(70)45-54-21-4-7-29-62(54)74(58)63/h1-7,9-29,31-44,47-49H,8,30,45-46H2
InChIKeyXGNSFSIQJLBWLC-UHFFFAOYSA-N
MW1000.25 g/mol
LogP19.67
Rot. Bonds6

About N-[3-(15-oxapentacyclo[21.4.0.02,7.09,14.016,21]heptacosa-1(27),2(7),3,5,9,11,13,16,18,20,23,25-dodecaen-3-yl)phenyl]-3-phenyl-N-(4-spiro[5,6-dihydrofluorene-9,9'-xanthene]-3-ylphenyl)aniline

N-[3-(15-oxapentacyclo[21.4.0.02,7.09,14.016,21]heptacosa-1(27),2(7),3,5,9,11,13,16,18,20,23,25-dodecaen-3-yl)phenyl]-3-phenyl-N-(4-spiro[5,6-dihydrofluorene-9,9'-xanthene]-3-ylphenyl)aniline (PubChem CID 146658921) has the molecular formula C75H53NO2 and a molecular weight of 1000.25 g/mol. Its IUPAC name is N-[3-(15-oxapentacyclo[21.4.0.02,7.09,14.016,21]heptacosa-1(27),2(7),3,5,9,11,13,16,18,20,23,25-dodecaen-3-yl)phenyl]-3-phenyl-N-(4-spiro[5,6-dihydrofluorene-9,9'-xanthene]-3-ylphenyl)aniline.

Molecular Properties

Compound NameN-[3-(15-oxapentacyclo[21.4.0.02,7.09,14.016,21]heptacosa-1(27),2(7),3,5,9,11,13,16,18,20,23,25-dodecaen-3-yl)phenyl]-3-phenyl-N-(4-spiro[5,6-dihydrofluorene-9,9'-xanthene]-3-ylphenyl)aniline
PubChem CID146658921
Molecular FormulaC75H53NO2
Molecular Weight1000.25 g/mol
Exact Mass999.41
IUPAC NameN-[3-(15-oxapentacyclo[21.4.0.02,7.09,14.016,21]heptacosa-1(27),2(7),3,5,9,11,13,16,18,20,23,25-dodecaen-3-yl)phenyl]-3-phenyl-N-(4-spiro[5,6-dihydrofluorene-9,9'-xanthene]-3-ylphenyl)aniline
SMILESC1=CC2=C(CC1)c1cc(-c3ccc(N(c4cccc(-c5ccccc5)c4)c4cccc(-c5cccc6c5-c5ccccc5Cc5ccccc5Oc5ccccc5C6)c4)cc3)ccc1C21c2ccccc2Oc2ccccc21
InChIInChI=1S/C75H53NO2/c1-2-19-50(20-3-1)52-24-16-27-60(47-52)76(59-42-39-51(40-43-59)53-41-44-67-65(49-53)64-30-8-9-32-66(64)75(67)68-33-10-14-37-72(68)78-73-38-15-11-34-69(73)75)61-28-17-25-55(48-61)63-31-18-26-58-46-57-23-6-13-36-71(57)77-70-35-12-5-22-56(70)45-54-21-4-7-29-62(54)74(58)63/h1-7,9-29,31-44,47-49H,8,30,45-46H2
InChIKeyXGNSFSIQJLBWLC-UHFFFAOYSA-N
XLogP19.67
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001000.25
LogP ≤ 519.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[3-(15-oxapentacyclo[21.4.0.02,7.09,14.016,21]heptacosa-1(27),2(7),3,5,9,11,13,16,18,20,23,25-dodecaen-3-yl)phenyl]-3-phenyl-N-(4-spiro[5,6-dihydrofluorene-9,9'-xanthene]-3-ylphenyl)aniline with MolForge

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Related Compounds

N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-xanthene]-3-yl-N-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline
CID 138476345
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
N-[4-(3-phenylphenyl)phenyl]-3-spiro[fluorene-9,9'-xanthene]-4-yl-N-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline
CID 138477053
N-[4-(3-phenylphenyl)phenyl]-3-spiro[fluorene-9,9'-xanthene]-3-yl-N-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline
CID 138476230
N-(3-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]spiro[11H-indeno[1,2-b]chromene-10,9'-fluorene]-3'-amine
CID 146365066
N-[4-(3-phenylphenyl)phenyl]-2-spiro[fluorene-9,9'-xanthene]-3-yl-N-(3-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)aniline
CID 138476977
N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-xanthene]-2-yl-N-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline
CID 138477772
N-phenyl-N-[4-[6-[4-(N-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-ylanilino)phenyl]-9H-carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 89069320
N-[4-(3-phenylphenyl)phenyl]-3-spiro[fluorene-9,9'-xanthene]-4-yl-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline
CID 138476242
N-[4-(3-phenylphenyl)phenyl]-2-spiro[fluorene-9,9'-xanthene]-3-yl-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline
CID 138476217
N-[4-(3-phenylphenyl)phenyl]-2-spiro[fluorene-9,9'-xanthene]-2-yl-N-(3-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)aniline
CID 138477783
3-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline
CID 167176728

Frequently Asked Questions

What is the IUPAC name of N-[3-(15-oxapentacyclo[21.4.0.02,7.09,14.016,21]heptacosa-1(27),2(7),3,5,9,11,13,16,18,20,23,25-dodecaen-3-yl)phenyl]-3-phenyl-N-(4-spiro[5,6-dihydrofluorene-9,9'-xanthene]-3-ylphenyl)aniline?
The IUPAC name of N-[3-(15-oxapentacyclo[21.4.0.02,7.09,14.016,21]heptacosa-1(27),2(7),3,5,9,11,13,16,18,20,23,25-dodecaen-3-yl)phenyl]-3-phenyl-N-(4-spiro[5,6-dihydrofluorene-9,9'-xanthene]-3-ylphenyl)aniline (CID 146658921) is N-[3-(15-oxapentacyclo[21.4.0.02,7.09,14.016,21]heptacosa-1(27),2(7),3,5,9,11,13,16,18,20,23,25-dodecaen-3-yl)phenyl]-3-phenyl-N-(4-spiro[5,6-dihydrofluorene-9,9'-xanthene]-3-ylphenyl)aniline.
What is the SMILES notation for N-[3-(15-oxapentacyclo[21.4.0.02,7.09,14.016,21]heptacosa-1(27),2(7),3,5,9,11,13,16,18,20,23,25-dodecaen-3-yl)phenyl]-3-phenyl-N-(4-spiro[5,6-dihydrofluorene-9,9'-xanthene]-3-ylphenyl)aniline?
The canonical SMILES for N-[3-(15-oxapentacyclo[21.4.0.02,7.09,14.016,21]heptacosa-1(27),2(7),3,5,9,11,13,16,18,20,23,25-dodecaen-3-yl)phenyl]-3-phenyl-N-(4-spiro[5,6-dihydrofluorene-9,9'-xanthene]-3-ylphenyl)aniline is C1=CC2=C(CC1)c1cc(-c3ccc(N(c4cccc(-c5ccccc5)c4)c4cccc(-c5cccc6c5-c5ccccc5Cc5ccccc5Oc5ccccc5C6)c4)cc3)ccc1C21c2ccccc2Oc2ccccc21.
What is the InChIKey of N-[3-(15-oxapentacyclo[21.4.0.02,7.09,14.016,21]heptacosa-1(27),2(7),3,5,9,11,13,16,18,20,23,25-dodecaen-3-yl)phenyl]-3-phenyl-N-(4-spiro[5,6-dihydrofluorene-9,9'-xanthene]-3-ylphenyl)aniline?
The InChIKey is XGNSFSIQJLBWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H53NO2/c1-2-19-50(20-3-1)52-24-16-27-60(47-52)76(59-42-39-51(40-43-59)53-41-44-67-65(49-53)64-30-8-9-32-66(64)75(67)68-33-10-14-37-72(68)78-73-38-15-11-34-69(73)75)61-28-17-25-55(48-61)63-31-18-26-58-46-57-23-6-13-36-71(57)77-70-35-12-5-22-56(70)45-54-21-4-7-29-62(54)74(58)63/h1-7,9-29,31-44,47-49H,8,30,45-46H2.
What are the key properties of N-[3-(15-oxapentacyclo[21.4.0.02,7.09,14.016,21]heptacosa-1(27),2(7),3,5,9,11,13,16,18,20,23,25-dodecaen-3-yl)phenyl]-3-phenyl-N-(4-spiro[5,6-dihydrofluorene-9,9'-xanthene]-3-ylphenyl)aniline?
N-[3-(15-oxapentacyclo[21.4.0.02,7.09,14.016,21]heptacosa-1(27),2(7),3,5,9,11,13,16,18,20,23,25-dodecaen-3-yl)phenyl]-3-phenyl-N-(4-spiro[5,6-dihydrofluorene-9,9'-xanthene]-3-ylphenyl)aniline has a molecular weight of 1000.25 g/mol, XLogP of 19.67, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(15-oxapentacyclo[21.4.0.02,7.09,14.016,21]heptacosa-1(27),2(7),3,5,9,11,13,16,18,20,23,25-dodecaen-3-yl)phenyl]-3-phenyl-N-(4-spiro[5,6-dihydrofluorene-9,9'-xanthene]-3-ylphenyl)aniline is sourced from PubChem (CID 146658921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).