7-N',17-N'-bis(6-ethyldibenzofuran-4-yl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine;7-N',17-N'-bis(6-methyldibenzofuran-4-yl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine

C144H96N4O4 — CID 160873998

IUPAC7-N',17-N'-bis(6-ethyldibenzofuran-4-yl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine;7-N',17-N'-bis(6-methyldibenzofuran-4-yl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine
SMILESCCc1cccc2c1oc1c(N(c3ccccc3)c3ccc4cc5c(cc4c3)C3(c4ccccc4-c4ccccc43)c3cc4cc(N(c6ccccc6)c6cccc7c6oc6c(CC)cccc67)ccc4cc3-5)cccc12.Cc1cccc2c1oc1c(N(c3ccccc3)c3ccc4cc5c(cc4c3)C3(c4ccccc4-c4ccccc43)c3cc4cc(N(c6ccccc6)c6cccc7c6oc6c(C)cccc67)ccc4cc3-5)cccc12
InChIInChI=1S/C73H50N2O2.C71H46N2O2/c1-3-45-19-15-27-57-59-29-17-33-67(71(59)76-69(45)57)74(51-21-7-5-8-22-51)53-37-35-47-41-61-62-42-48-36-38-54(75(52-23-9-6-10-24-52)68-34-18-30-60-58-28-16-20-46(4-2)70(58)77-72(60)68)40-50(48)44-66(62)73(65(61)43-49(47)39-53)63-31-13-11-25-55(63)56-26-12-14-32-64(56)73;1-43-17-13-25-55-57-27-15-31-65(69(57)74-67(43)55)72(49-19-5-3-6-20-49)51-35-33-45-39-59-60-40-46-34-36-52(73(50-21-7-4-8-22-50)66-32-16-28-58-56-26-14-18-44(2)68(56)75-70(58)66)38-48(46)42-64(60)71(63(59)41-47(45)37-51)61-29-11-9-23-53(61)54-24-10-12-30-62(54)71/h5-44H,3-4H2,1-2H3;3-42H,1-2H3
InChIKeySMDFHFRTMZROEL-UHFFFAOYSA-N
MW1946.38 g/mol
LogP39.89
Rot. Bonds14

About 7-N',17-N'-bis(6-ethyldibenzofuran-4-yl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine;7-N',17-N'-bis(6-methyldibenzofuran-4-yl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine

7-N',17-N'-bis(6-ethyldibenzofuran-4-yl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine;7-N',17-N'-bis(6-methyldibenzofuran-4-yl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine (PubChem CID 160873998) has the molecular formula C144H96N4O4 and a molecular weight of 1946.38 g/mol. Its IUPAC name is 7-N',17-N'-bis(6-ethyldibenzofuran-4-yl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine;7-N',17-N'-bis(6-methyldibenzofuran-4-yl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine.

Molecular Properties

Compound Name7-N',17-N'-bis(6-ethyldibenzofuran-4-yl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine;7-N',17-N'-bis(6-methyldibenzofuran-4-yl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine
PubChem CID160873998
Molecular FormulaC144H96N4O4
Molecular Weight1946.38 g/mol
Exact Mass1944.74
IUPAC Name7-N',17-N'-bis(6-ethyldibenzofuran-4-yl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine;7-N',17-N'-bis(6-methyldibenzofuran-4-yl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine
SMILESCCc1cccc2c1oc1c(N(c3ccccc3)c3ccc4cc5c(cc4c3)C3(c4ccccc4-c4ccccc43)c3cc4cc(N(c6ccccc6)c6cccc7c6oc6c(CC)cccc67)ccc4cc3-5)cccc12.Cc1cccc2c1oc1c(N(c3ccccc3)c3ccc4cc5c(cc4c3)C3(c4ccccc4-c4ccccc43)c3cc4cc(N(c6ccccc6)c6cccc7c6oc6c(C)cccc67)ccc4cc3-5)cccc12
InChIInChI=1S/C73H50N2O2.C71H46N2O2/c1-3-45-19-15-27-57-59-29-17-33-67(71(59)76-69(45)57)74(51-21-7-5-8-22-51)53-37-35-47-41-61-62-42-48-36-38-54(75(52-23-9-6-10-24-52)68-34-18-30-60-58-28-16-20-46(4-2)70(58)77-72(60)68)40-50(48)44-66(62)73(65(61)43-49(47)39-53)63-31-13-11-25-55(63)56-26-12-14-32-64(56)73;1-43-17-13-25-55-57-27-15-31-65(69(57)74-67(43)55)72(49-19-5-3-6-20-49)51-35-33-45-39-59-60-40-46-34-36-52(73(50-21-7-4-8-22-50)66-32-16-28-58-56-26-14-18-44(2)68(56)75-70(58)66)38-48(46)42-64(60)71(63(59)41-47(45)37-51)61-29-11-9-23-53(61)54-24-10-12-30-62(54)71/h5-44H,3-4H2,1-2H3;3-42H,1-2H3
InChIKeySMDFHFRTMZROEL-UHFFFAOYSA-N
XLogP39.89
TPSA65.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms152
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001946.38
LogP ≤ 539.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7-N',17-N'-bis(6-ethyldibenzofuran-4-yl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine;7-N',17-N'-bis(6-methyldibenzofuran-4-yl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine with MolForge

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Related Compounds

6-(2-methylphenyl)-N-phenyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-yldibenzofuran-4-amine
CID 145353357
12,12-dimethyl-7-N,17-N-bis(6-methyldibenzofuran-4-yl)-7-N,17-N-diphenylpentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene-7,17-diamine
CID 90140416
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
7-N',17-N'-di(dibenzofuran-1-yl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine
CID 137492867
25,25-ditert-butyl-5-N,20-N-bis(6-ethyldibenzofuran-4-yl)-5-N,20-N-diphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine
CID 121431025
11,11-dimethyl-2-N,8-N-diphenyl-2-N,8-N-bis(6-phenyldibenzofuran-4-yl)benzo[b]fluorene-2,8-diamine
CID 90139814
7-N',17-N'-di(dibenzofuran-4-yl)-7-N',17-N'-bis(2-methylphenyl)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine
CID 137493213
5-N'-(2-methylphenyl)-5-N',20-N'-diphenyl-20-N'-(2-trimethylsilylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5',20'-diamine
CID 158003093
9-N,23-N-di(dibenzofuran-4-yl)-14,14,28,28-tetramethyl-9-N,23-N-diphenylheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine;14,14,28,28-tetramethyl-9-N,23-N-bis(2-methylphenyl)-9-N,23-N-diphenylheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine;14,14,28,28-tetramethyl-9-N,9-N,23-N,23-N-tetrakis(2-methylphenyl)heptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine
CID 158488076
N-[4-(3-methyl-9,9'-spirobi[fluorene]-2'-yl)phenyl]-N-naphthalen-2-yl-6-phenyldibenzofuran-4-amine
CID 176652213
N-(3-methylphenyl)-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7'-amine
CID 140962192
N-(3,4-dimethylphenyl)-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-amine
CID 137493782

Frequently Asked Questions

What is the IUPAC name of 7-N',17-N'-bis(6-ethyldibenzofuran-4-yl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine;7-N',17-N'-bis(6-methyldibenzofuran-4-yl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine?
The IUPAC name of 7-N',17-N'-bis(6-ethyldibenzofuran-4-yl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine;7-N',17-N'-bis(6-methyldibenzofuran-4-yl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine (CID 160873998) is 7-N',17-N'-bis(6-ethyldibenzofuran-4-yl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine;7-N',17-N'-bis(6-methyldibenzofuran-4-yl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine.
What is the SMILES notation for 7-N',17-N'-bis(6-ethyldibenzofuran-4-yl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine;7-N',17-N'-bis(6-methyldibenzofuran-4-yl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine?
The canonical SMILES for 7-N',17-N'-bis(6-ethyldibenzofuran-4-yl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine;7-N',17-N'-bis(6-methyldibenzofuran-4-yl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine is CCc1cccc2c1oc1c(N(c3ccccc3)c3ccc4cc5c(cc4c3)C3(c4ccccc4-c4ccccc43)c3cc4cc(N(c6ccccc6)c6cccc7c6oc6c(CC)cccc67)ccc4cc3-5)cccc12.Cc1cccc2c1oc1c(N(c3ccccc3)c3ccc4cc5c(cc4c3)C3(c4ccccc4-c4ccccc43)c3cc4cc(N(c6ccccc6)c6cccc7c6oc6c(C)cccc67)ccc4cc3-5)cccc12.
What is the InChIKey of 7-N',17-N'-bis(6-ethyldibenzofuran-4-yl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine;7-N',17-N'-bis(6-methyldibenzofuran-4-yl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine?
The InChIKey is SMDFHFRTMZROEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H50N2O2.C71H46N2O2/c1-3-45-19-15-27-57-59-29-17-33-67(71(59)76-69(45)57)74(51-21-7-5-8-22-51)53-37-35-47-41-61-62-42-48-36-38-54(75(52-23-9-6-10-24-52)68-34-18-30-60-58-28-16-20-46(4-2)70(58)77-72(60)68)40-50(48)44-66(62)73(65(61)43-49(47)39-53)63-31-13-11-25-55(63)56-26-12-14-32-64(56)73;1-43-17-13-25-55-57-27-15-31-65(69(57)74-67(43)55)72(49-19-5-3-6-20-49)51-35-33-45-39-59-60-40-46-34-36-52(73(50-21-7-4-8-22-50)66-32-16-28-58-56-26-14-18-44(2)68(56)75-70(58)66)38-48(46)42-64(60)71(63(59)41-47(45)37-51)61-29-11-9-23-53(61)54-24-10-12-30-62(54)71/h5-44H,3-4H2,1-2H3;3-42H,1-2H3.
What are the key properties of 7-N',17-N'-bis(6-ethyldibenzofuran-4-yl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine;7-N',17-N'-bis(6-methyldibenzofuran-4-yl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine?
7-N',17-N'-bis(6-ethyldibenzofuran-4-yl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine;7-N',17-N'-bis(6-methyldibenzofuran-4-yl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine has a molecular weight of 1946.38 g/mol, XLogP of 39.89, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N',17-N'-bis(6-ethyldibenzofuran-4-yl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine;7-N',17-N'-bis(6-methyldibenzofuran-4-yl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine is sourced from PubChem (CID 160873998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).