N-[4-[17'-[4-(N-dibenzofuran-4-ylanilino)phenyl]spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7'-yl]phenyl]-N-phenyldibenzofuran-4-amine

C85H52N2O2 — CID 137493510

IUPACN-[4-[17'-[4-(N-dibenzofuran-4-ylanilino)phenyl]spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7'-yl]phenyl]-N-phenyldibenzofuran-4-amine
SMILESc1ccc(N(c2ccc(-c3ccc4c5c(ccc4c3)-c3ccc4cc(-c6ccc(N(c7ccccc7)c7cccc8c7oc7ccccc78)cc6)ccc4c3C53c4ccccc4-c4c3ccc3ccccc43)cc2)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C85H52N2O2/c1-3-18-60(19-4-1)86(76-29-15-26-71-67-23-10-13-31-78(67)88-83(71)76)62-42-33-53(34-43-62)56-37-46-65-58(51-56)39-48-69-70-49-40-59-52-57(38-47-66(59)82(70)85(81(65)69)74-28-12-9-25-73(74)80-64-22-8-7-17-55(64)41-50-75(80)85)54-35-44-63(45-36-54)87(61-20-5-2-6-21-61)77-30-16-27-72-68-24-11-14-32-79(68)89-84(72)77/h1-52H
InChIKeyWBQDOCBSLKFESP-UHFFFAOYSA-N
MW1133.36 g/mol
LogP23.56
Rot. Bonds8

About N-[4-[17'-[4-(N-dibenzofuran-4-ylanilino)phenyl]spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7'-yl]phenyl]-N-phenyldibenzofuran-4-amine

N-[4-[17'-[4-(N-dibenzofuran-4-ylanilino)phenyl]spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7'-yl]phenyl]-N-phenyldibenzofuran-4-amine (PubChem CID 137493510) has the molecular formula C85H52N2O2 and a molecular weight of 1133.36 g/mol. Its IUPAC name is N-[4-[17'-[4-(N-dibenzofuran-4-ylanilino)phenyl]spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7'-yl]phenyl]-N-phenyldibenzofuran-4-amine.

Molecular Properties

Compound NameN-[4-[17'-[4-(N-dibenzofuran-4-ylanilino)phenyl]spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7'-yl]phenyl]-N-phenyldibenzofuran-4-amine
PubChem CID137493510
Molecular FormulaC85H52N2O2
Molecular Weight1133.36 g/mol
Exact Mass1132.40
IUPAC NameN-[4-[17'-[4-(N-dibenzofuran-4-ylanilino)phenyl]spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7'-yl]phenyl]-N-phenyldibenzofuran-4-amine
SMILESc1ccc(N(c2ccc(-c3ccc4c5c(ccc4c3)-c3ccc4cc(-c6ccc(N(c7ccccc7)c7cccc8c7oc7ccccc78)cc6)ccc4c3C53c4ccccc4-c4c3ccc3ccccc43)cc2)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C85H52N2O2/c1-3-18-60(19-4-1)86(76-29-15-26-71-67-23-10-13-31-78(67)88-83(71)76)62-42-33-53(34-43-62)56-37-46-65-58(51-56)39-48-69-70-49-40-59-52-57(38-47-66(59)82(70)85(81(65)69)74-28-12-9-25-73(74)80-64-22-8-7-17-55(64)41-50-75(80)85)54-35-44-63(45-36-54)87(61-20-5-2-6-21-61)77-30-16-27-72-68-24-11-14-32-79(68)89-84(72)77/h1-52H
InChIKeyWBQDOCBSLKFESP-UHFFFAOYSA-N
XLogP23.56
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001133.36
LogP ≤ 523.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[4-[17'-[4-(N-dibenzofuran-4-ylanilino)phenyl]spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7'-yl]phenyl]-N-phenyldibenzofuran-4-amine with MolForge

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Related Compounds

7-N',17-N'-bis[6-(2-methylphenyl)dibenzofuran-4-yl]-7-N',17-N'-diphenylspiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7',17'-diamine
CID 137493502
N-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-4-amine
CID 177114196
N-(12,12-dimethyl-17-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaenyl)-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 90140396
3,6-ditert-butyl-7-N',17-N'-di(dibenzofuran-4-yl)-7-N',17-N'-bis(4-phenylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7',17'-diamine
CID 137494594
N-phenyl-N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-yldibenzofuran-4-amine
CID 140962343
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 146251209
N-[3-[5'-[3-(N-dibenzofuran-4-ylanilino)phenyl]spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-yl]phenyl]-N-phenyldibenzofuran-4-amine;N-[3-[5'-[3-(N-dibenzothiophen-4-ylanilino)phenyl]spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-yl]phenyl]-N-phenyldibenzothiophen-4-amine;N-[4-[5'-[4-(N-dibenzothiophen-4-ylanilino)phenyl]spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-yl]phenyl]-N-phenyldibenzothiophen-4-amine
CID 158767830
N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine
CID 177114159
N-dibenzofuran-2-yl-7,7-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine;N-dibenzofuran-4-yl-7,7-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine;7,7-dimethyl-N-phenanthren-2-yl-N-phenylfluoreno[5,6-b][1]benzofuran-9-amine;N-(4-naphthalen-2-ylphenyl)-N,7,7-triphenylfluoreno[5,6-b][1]benzofuran-9-amine
CID 165102983
12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-3-amine;12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-10-amine;12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[1,2-b][1]benzofuran-3-amine;12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[1,2-b][1]benzofuran-10-amine
CID 160770328
N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenanthren-2-ylphenyl)dibenzofuran-4-amine
CID 166939558
N,N-bis(4-phenylphenyl)spiro[benzo[a]thioxanthene-12,9'-fluorene]-1'-amine;methane;N-phenyl-N-(4-phenylphenyl)spiro[benzo[a]thioxanthene-12,9'-fluorene]-1'-amine;4-phenyl-N-(4-phenylphenyl)-N-(4-spiro[benzo[a]thioxanthene-12,9'-fluorene]-2'-ylphenyl)aniline;N-phenyl-N-(4-spiro[benzo[a]thioxanthene-12,9'-fluorene]-2'-ylphenyl)dibenzofuran-4-amine
CID 157406821

Frequently Asked Questions

What is the IUPAC name of N-[4-[17'-[4-(N-dibenzofuran-4-ylanilino)phenyl]spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7'-yl]phenyl]-N-phenyldibenzofuran-4-amine?
The IUPAC name of N-[4-[17'-[4-(N-dibenzofuran-4-ylanilino)phenyl]spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7'-yl]phenyl]-N-phenyldibenzofuran-4-amine (CID 137493510) is N-[4-[17'-[4-(N-dibenzofuran-4-ylanilino)phenyl]spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7'-yl]phenyl]-N-phenyldibenzofuran-4-amine.
What is the SMILES notation for N-[4-[17'-[4-(N-dibenzofuran-4-ylanilino)phenyl]spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7'-yl]phenyl]-N-phenyldibenzofuran-4-amine?
The canonical SMILES for N-[4-[17'-[4-(N-dibenzofuran-4-ylanilino)phenyl]spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7'-yl]phenyl]-N-phenyldibenzofuran-4-amine is c1ccc(N(c2ccc(-c3ccc4c5c(ccc4c3)-c3ccc4cc(-c6ccc(N(c7ccccc7)c7cccc8c7oc7ccccc78)cc6)ccc4c3C53c4ccccc4-c4c3ccc3ccccc43)cc2)c2cccc3c2oc2ccccc23)cc1.
What is the InChIKey of N-[4-[17'-[4-(N-dibenzofuran-4-ylanilino)phenyl]spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7'-yl]phenyl]-N-phenyldibenzofuran-4-amine?
The InChIKey is WBQDOCBSLKFESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H52N2O2/c1-3-18-60(19-4-1)86(76-29-15-26-71-67-23-10-13-31-78(67)88-83(71)76)62-42-33-53(34-43-62)56-37-46-65-58(51-56)39-48-69-70-49-40-59-52-57(38-47-66(59)82(70)85(81(65)69)74-28-12-9-25-73(74)80-64-22-8-7-17-55(64)41-50-75(80)85)54-35-44-63(45-36-54)87(61-20-5-2-6-21-61)77-30-16-27-72-68-24-11-14-32-79(68)89-84(72)77/h1-52H.
What are the key properties of N-[4-[17'-[4-(N-dibenzofuran-4-ylanilino)phenyl]spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7'-yl]phenyl]-N-phenyldibenzofuran-4-amine?
N-[4-[17'-[4-(N-dibenzofuran-4-ylanilino)phenyl]spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7'-yl]phenyl]-N-phenyldibenzofuran-4-amine has a molecular weight of 1133.36 g/mol, XLogP of 23.56, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[17'-[4-(N-dibenzofuran-4-ylanilino)phenyl]spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7'-yl]phenyl]-N-phenyldibenzofuran-4-amine is sourced from PubChem (CID 137493510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).