N-[4-[15'-[4-(N-dibenzofuran-4-ylanilino)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-yl]phenyl]-N-phenyl-8H-cyclohepta[b][1]benzofuran-4-amine

C82H52N2O2 — CID 145353219

IUPACN-[4-[15'-[4-(N-dibenzofuran-4-ylanilino)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-yl]phenyl]-N-phenyl-8H-cyclohepta[b][1]benzofuran-4-amine
SMILESC1=Cc2oc3c(N(c4ccccc4)c4ccc(-c5cc6c(c7ccccc57)-c5c(cc(-c7ccc(N(c8ccccc8)c8cccc9c8oc8ccccc89)cc7)c7ccccc57)C65c6ccccc6-c6ccccc65)cc4)cccc3c2C=CC1
InChIInChI=1S/C82H52N2O2/c1-4-22-54(23-5-1)83(74-38-20-34-66-62-30-8-3-9-40-76(62)85-80(66)74)56-46-42-52(43-47-56)68-50-72-78(64-32-12-10-26-58(64)68)79-65-33-13-11-27-59(65)69(51-73(79)82(72)70-36-17-14-28-60(70)61-29-15-18-37-71(61)82)53-44-48-57(49-45-53)84(55-24-6-2-7-25-55)75-39-21-35-67-63-31-16-19-41-77(63)86-81(67)75/h1-2,4-51H,3H2
InChIKeyWYYMUZSVJPORQS-UHFFFAOYSA-N
MW1097.33 g/mol
LogP22.69
Rot. Bonds8

About N-[4-[15'-[4-(N-dibenzofuran-4-ylanilino)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-yl]phenyl]-N-phenyl-8H-cyclohepta[b][1]benzofuran-4-amine

N-[4-[15'-[4-(N-dibenzofuran-4-ylanilino)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-yl]phenyl]-N-phenyl-8H-cyclohepta[b][1]benzofuran-4-amine (PubChem CID 145353219) has the molecular formula C82H52N2O2 and a molecular weight of 1097.33 g/mol. Its IUPAC name is N-[4-[15'-[4-(N-dibenzofuran-4-ylanilino)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-yl]phenyl]-N-phenyl-8H-cyclohepta[b][1]benzofuran-4-amine.

Molecular Properties

Compound NameN-[4-[15'-[4-(N-dibenzofuran-4-ylanilino)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-yl]phenyl]-N-phenyl-8H-cyclohepta[b][1]benzofuran-4-amine
PubChem CID145353219
Molecular FormulaC82H52N2O2
Molecular Weight1097.33 g/mol
Exact Mass1096.40
IUPAC NameN-[4-[15'-[4-(N-dibenzofuran-4-ylanilino)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-yl]phenyl]-N-phenyl-8H-cyclohepta[b][1]benzofuran-4-amine
SMILESC1=Cc2oc3c(N(c4ccccc4)c4ccc(-c5cc6c(c7ccccc57)-c5c(cc(-c7ccc(N(c8ccccc8)c8cccc9c8oc8ccccc89)cc7)c7ccccc57)C65c6ccccc6-c6ccccc65)cc4)cccc3c2C=CC1
InChIInChI=1S/C82H52N2O2/c1-4-22-54(23-5-1)83(74-38-20-34-66-62-30-8-3-9-40-76(62)85-80(66)74)56-46-42-52(43-47-56)68-50-72-78(64-32-12-10-26-58(64)68)79-65-33-13-11-27-59(65)69(51-73(79)82(72)70-36-17-14-28-60(70)61-29-15-18-37-71(61)82)53-44-48-57(49-45-53)84(55-24-6-2-7-25-55)75-39-21-35-67-63-31-16-19-41-77(63)86-81(67)75/h1-2,4-51H,3H2
InChIKeyWYYMUZSVJPORQS-UHFFFAOYSA-N
XLogP22.69
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001097.33
LogP ≤ 522.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[4-[15'-[4-(N-dibenzofuran-4-ylanilino)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-yl]phenyl]-N-phenyl-8H-cyclohepta[b][1]benzofuran-4-amine with MolForge

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Related Compounds

N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-ylphenyl)dibenzofuran-4-amine
CID 130260344
6-N-(8H-cyclohepta[b][1]benzofuran-4-yl)-1-N-dibenzofuran-4-yl-1-N,6-N-bis(3-phenylphenyl)pyrene-1,6-diamine
CID 144918847
N-(4-dibenzofuran-4-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine
CID 130308817
N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)aniline;N-(4-dibenzofuran-4-ylphenyl)-2-phenyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline;N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 160841944
N-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 167177472
N-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-yldibenzofuran-4-amine
CID 164960101
4-N-dibenzofuran-4-yl-2-N',2-N',4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915337
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,N-bis(4-dibenzofuran-4-ylphenyl)-4-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)aniline
CID 130325270
N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-2-phenyl-N-(3-phenylphenyl)aniline;N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline
CID 159727177
9-N',15-N'-di(dibenzofuran-4-yl)-9-N',15-N'-bis(3-methylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine
CID 137493854
N-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-4-amine
CID 172544842

Frequently Asked Questions

What is the IUPAC name of N-[4-[15'-[4-(N-dibenzofuran-4-ylanilino)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-yl]phenyl]-N-phenyl-8H-cyclohepta[b][1]benzofuran-4-amine?
The IUPAC name of N-[4-[15'-[4-(N-dibenzofuran-4-ylanilino)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-yl]phenyl]-N-phenyl-8H-cyclohepta[b][1]benzofuran-4-amine (CID 145353219) is N-[4-[15'-[4-(N-dibenzofuran-4-ylanilino)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-yl]phenyl]-N-phenyl-8H-cyclohepta[b][1]benzofuran-4-amine.
What is the SMILES notation for N-[4-[15'-[4-(N-dibenzofuran-4-ylanilino)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-yl]phenyl]-N-phenyl-8H-cyclohepta[b][1]benzofuran-4-amine?
The canonical SMILES for N-[4-[15'-[4-(N-dibenzofuran-4-ylanilino)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-yl]phenyl]-N-phenyl-8H-cyclohepta[b][1]benzofuran-4-amine is C1=Cc2oc3c(N(c4ccccc4)c4ccc(-c5cc6c(c7ccccc57)-c5c(cc(-c7ccc(N(c8ccccc8)c8cccc9c8oc8ccccc89)cc7)c7ccccc57)C65c6ccccc6-c6ccccc65)cc4)cccc3c2C=CC1.
What is the InChIKey of N-[4-[15'-[4-(N-dibenzofuran-4-ylanilino)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-yl]phenyl]-N-phenyl-8H-cyclohepta[b][1]benzofuran-4-amine?
The InChIKey is WYYMUZSVJPORQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H52N2O2/c1-4-22-54(23-5-1)83(74-38-20-34-66-62-30-8-3-9-40-76(62)85-80(66)74)56-46-42-52(43-47-56)68-50-72-78(64-32-12-10-26-58(64)68)79-65-33-13-11-27-59(65)69(51-73(79)82(72)70-36-17-14-28-60(70)61-29-15-18-37-71(61)82)53-44-48-57(49-45-53)84(55-24-6-2-7-25-55)75-39-21-35-67-63-31-16-19-41-77(63)86-81(67)75/h1-2,4-51H,3H2.
What are the key properties of N-[4-[15'-[4-(N-dibenzofuran-4-ylanilino)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-yl]phenyl]-N-phenyl-8H-cyclohepta[b][1]benzofuran-4-amine?
N-[4-[15'-[4-(N-dibenzofuran-4-ylanilino)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-yl]phenyl]-N-phenyl-8H-cyclohepta[b][1]benzofuran-4-amine has a molecular weight of 1097.33 g/mol, XLogP of 22.69, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[15'-[4-(N-dibenzofuran-4-ylanilino)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-yl]phenyl]-N-phenyl-8H-cyclohepta[b][1]benzofuran-4-amine is sourced from PubChem (CID 145353219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).