4-phenyl-N-(4-phenylphenyl)-N-(4-spiro[fluoreno[2,3-b][1]benzofuran-7,20'-hexacyclo[11.7.0.03,11.04,8.06,10.014,19]icosa-1,3(11),12,14,16,18-hexaene]-6-ylphenyl)aniline

C68H47NO — CID 171799159

IUPAC4-phenyl-N-(4-phenylphenyl)-N-(4-spiro[fluoreno[2,3-b][1]benzofuran-7,20'-hexacyclo[11.7.0.03,11.04,8.06,10.014,19]icosa-1,3(11),12,14,16,18-hexaene]-6-ylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4c5c(cc6c4oc4ccccc46)-c4ccccc4C54c5ccccc5-c5cc6c(cc54)C4CC5CC4CC65)cc3)cc2)cc1
InChIInChI=1S/C68H47NO/c1-3-13-41(14-4-1)43-23-29-48(30-24-43)69(49-31-25-44(26-32-49)42-15-5-2-6-16-42)50-33-27-45(28-34-50)65-66-59(39-60-53-19-9-12-22-64(53)70-67(60)65)52-18-8-11-21-62(52)68(66)61-20-10-7-17-51(61)58-38-56-54-36-47-35-46(54)37-55(47)57(56)40-63(58)68/h1-34,38-40,46-47,54-55H,35-37H2
InChIKeyMWKIPRORYISPAX-UHFFFAOYSA-N
MW894.13 g/mol
LogP18.01
Rot. Bonds6

About 4-phenyl-N-(4-phenylphenyl)-N-(4-spiro[fluoreno[2,3-b][1]benzofuran-7,20'-hexacyclo[11.7.0.03,11.04,8.06,10.014,19]icosa-1,3(11),12,14,16,18-hexaene]-6-ylphenyl)aniline

4-phenyl-N-(4-phenylphenyl)-N-(4-spiro[fluoreno[2,3-b][1]benzofuran-7,20'-hexacyclo[11.7.0.03,11.04,8.06,10.014,19]icosa-1,3(11),12,14,16,18-hexaene]-6-ylphenyl)aniline (PubChem CID 171799159) has the molecular formula C68H47NO and a molecular weight of 894.13 g/mol. Its IUPAC name is 4-phenyl-N-(4-phenylphenyl)-N-(4-spiro[fluoreno[2,3-b][1]benzofuran-7,20'-hexacyclo[11.7.0.03,11.04,8.06,10.014,19]icosa-1,3(11),12,14,16,18-hexaene]-6-ylphenyl)aniline.

Molecular Properties

Compound Name4-phenyl-N-(4-phenylphenyl)-N-(4-spiro[fluoreno[2,3-b][1]benzofuran-7,20'-hexacyclo[11.7.0.03,11.04,8.06,10.014,19]icosa-1,3(11),12,14,16,18-hexaene]-6-ylphenyl)aniline
PubChem CID171799159
Molecular FormulaC68H47NO
Molecular Weight894.13 g/mol
Exact Mass893.37
IUPAC Name4-phenyl-N-(4-phenylphenyl)-N-(4-spiro[fluoreno[2,3-b][1]benzofuran-7,20'-hexacyclo[11.7.0.03,11.04,8.06,10.014,19]icosa-1,3(11),12,14,16,18-hexaene]-6-ylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4c5c(cc6c4oc4ccccc46)-c4ccccc4C54c5ccccc5-c5cc6c(cc54)C4CC5CC4CC65)cc3)cc2)cc1
InChIInChI=1S/C68H47NO/c1-3-13-41(14-4-1)43-23-29-48(30-24-43)69(49-31-25-44(26-32-49)42-15-5-2-6-16-42)50-33-27-45(28-34-50)65-66-59(39-60-53-19-9-12-22-64(53)70-67(60)65)52-18-8-11-21-62(52)68(66)61-20-10-7-17-51(61)58-38-56-54-36-47-35-46(54)37-55(47)57(56)40-63(58)68/h1-34,38-40,46-47,54-55H,35-37H2
InChIKeyMWKIPRORYISPAX-UHFFFAOYSA-N
XLogP18.01
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500894.13
LogP ≤ 518.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-phenyl-N-(4-phenylphenyl)-N-(4-spiro[fluoreno[2,3-b][1]benzofuran-7,20'-hexacyclo[11.7.0.03,11.04,8.06,10.014,19]icosa-1,3(11),12,14,16,18-hexaene]-6-ylphenyl)aniline with MolForge

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Related Compounds

N-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-3-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-ylaniline
CID 171799120
N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-2-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-ylaniline
CID 171799035
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-(4-dibenzofuran-4-ylphenyl)-N,2-diphenyl-9,9'-spirobi[fluorene]-2'-amine
CID 118298489
N-(4-dibenzofuran-4-ylphenyl)-9-[4-(3-fluorodibenzofuran-4-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-3-amine
CID 164769049
N,6-bis(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,3-b][1]benzofuran-3-amine
CID 169295352
N-[4-(2-dibenzofuran-4-yl-5-phenylphenyl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 167484367
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-(4-naphtho[1,2-b][1]benzofuran-5-ylphenyl)-N-phenylaniline
CID 67964184
N-[4-[9-(4-dibenzofuran-4-ylphenyl)-9-phenylfluoren-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 164768992
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 121381438
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)spiro[9H-anthracene-10,9'-fluorene]-2'-amine
CID 144724087
N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-3'-amine
CID 142480664

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(4-phenylphenyl)-N-(4-spiro[fluoreno[2,3-b][1]benzofuran-7,20'-hexacyclo[11.7.0.03,11.04,8.06,10.014,19]icosa-1,3(11),12,14,16,18-hexaene]-6-ylphenyl)aniline?
The IUPAC name of 4-phenyl-N-(4-phenylphenyl)-N-(4-spiro[fluoreno[2,3-b][1]benzofuran-7,20'-hexacyclo[11.7.0.03,11.04,8.06,10.014,19]icosa-1,3(11),12,14,16,18-hexaene]-6-ylphenyl)aniline (CID 171799159) is 4-phenyl-N-(4-phenylphenyl)-N-(4-spiro[fluoreno[2,3-b][1]benzofuran-7,20'-hexacyclo[11.7.0.03,11.04,8.06,10.014,19]icosa-1,3(11),12,14,16,18-hexaene]-6-ylphenyl)aniline.
What is the SMILES notation for 4-phenyl-N-(4-phenylphenyl)-N-(4-spiro[fluoreno[2,3-b][1]benzofuran-7,20'-hexacyclo[11.7.0.03,11.04,8.06,10.014,19]icosa-1,3(11),12,14,16,18-hexaene]-6-ylphenyl)aniline?
The canonical SMILES for 4-phenyl-N-(4-phenylphenyl)-N-(4-spiro[fluoreno[2,3-b][1]benzofuran-7,20'-hexacyclo[11.7.0.03,11.04,8.06,10.014,19]icosa-1,3(11),12,14,16,18-hexaene]-6-ylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4c5c(cc6c4oc4ccccc46)-c4ccccc4C54c5ccccc5-c5cc6c(cc54)C4CC5CC4CC65)cc3)cc2)cc1.
What is the InChIKey of 4-phenyl-N-(4-phenylphenyl)-N-(4-spiro[fluoreno[2,3-b][1]benzofuran-7,20'-hexacyclo[11.7.0.03,11.04,8.06,10.014,19]icosa-1,3(11),12,14,16,18-hexaene]-6-ylphenyl)aniline?
The InChIKey is MWKIPRORYISPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H47NO/c1-3-13-41(14-4-1)43-23-29-48(30-24-43)69(49-31-25-44(26-32-49)42-15-5-2-6-16-42)50-33-27-45(28-34-50)65-66-59(39-60-53-19-9-12-22-64(53)70-67(60)65)52-18-8-11-21-62(52)68(66)61-20-10-7-17-51(61)58-38-56-54-36-47-35-46(54)37-55(47)57(56)40-63(58)68/h1-34,38-40,46-47,54-55H,35-37H2.
What are the key properties of 4-phenyl-N-(4-phenylphenyl)-N-(4-spiro[fluoreno[2,3-b][1]benzofuran-7,20'-hexacyclo[11.7.0.03,11.04,8.06,10.014,19]icosa-1,3(11),12,14,16,18-hexaene]-6-ylphenyl)aniline?
4-phenyl-N-(4-phenylphenyl)-N-(4-spiro[fluoreno[2,3-b][1]benzofuran-7,20'-hexacyclo[11.7.0.03,11.04,8.06,10.014,19]icosa-1,3(11),12,14,16,18-hexaene]-6-ylphenyl)aniline has a molecular weight of 894.13 g/mol, XLogP of 18.01, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(4-phenylphenyl)-N-(4-spiro[fluoreno[2,3-b][1]benzofuran-7,20'-hexacyclo[11.7.0.03,11.04,8.06,10.014,19]icosa-1,3(11),12,14,16,18-hexaene]-6-ylphenyl)aniline is sourced from PubChem (CID 171799159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).