7-N',17-N'-di(dibenzofuran-4-yl)-7-N',17-N'-bis(4-propan-2-ylphenyl)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

C79H56N2O2 — CID 137494601

IUPAC7-N',17-N'-di(dibenzofuran-4-yl)-7-N',17-N'-bis(4-propan-2-ylphenyl)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
SMILESCC(C)c1ccc(N(c2ccc3cc4c(cc3c2)C2(c3cc5cc(N(c6ccc(C(C)C)cc6)c6cccc7c6oc6ccccc67)ccc5cc3-4)c3ccccc3-c3c2ccc2ccccc32)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C79H56N2O2/c1-47(2)49-27-34-56(35-28-49)80(72-23-13-20-63-61-17-8-11-25-74(61)82-77(63)72)58-38-31-52-43-66-67-44-53-32-39-59(81(57-36-29-50(30-37-57)48(3)4)73-24-14-21-64-62-18-9-12-26-75(62)83-78(64)73)42-55(53)46-71(67)79(70(66)45-54(52)41-58)68-22-10-7-19-65(68)76-60-16-6-5-15-51(60)33-40-69(76)79/h5-48H,1-4H3
InChIKeyNDALTFAKPIZBPJ-UHFFFAOYSA-N
MW1065.33 g/mol
LogP22.47
Rot. Bonds8

About 7-N',17-N'-di(dibenzofuran-4-yl)-7-N',17-N'-bis(4-propan-2-ylphenyl)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

7-N',17-N'-di(dibenzofuran-4-yl)-7-N',17-N'-bis(4-propan-2-ylphenyl)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 (PubChem CID 137494601) has the molecular formula C79H56N2O2 and a molecular weight of 1065.33 g/mol. Its IUPAC name is 7-N',17-N'-di(dibenzofuran-4-yl)-7-N',17-N'-bis(4-propan-2-ylphenyl)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.

Molecular Properties

Compound Name7-N',17-N'-di(dibenzofuran-4-yl)-7-N',17-N'-bis(4-propan-2-ylphenyl)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
PubChem CID137494601
Molecular FormulaC79H56N2O2
Molecular Weight1065.33 g/mol
Exact Mass1064.43
IUPAC Name7-N',17-N'-di(dibenzofuran-4-yl)-7-N',17-N'-bis(4-propan-2-ylphenyl)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
SMILESCC(C)c1ccc(N(c2ccc3cc4c(cc3c2)C2(c3cc5cc(N(c6ccc(C(C)C)cc6)c6cccc7c6oc6ccccc67)ccc5cc3-4)c3ccccc3-c3c2ccc2ccccc32)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C79H56N2O2/c1-47(2)49-27-34-56(35-28-49)80(72-23-13-20-63-61-17-8-11-25-74(61)82-77(63)72)58-38-31-52-43-66-67-44-53-32-39-59(81(57-36-29-50(30-37-57)48(3)4)73-24-14-21-64-62-18-9-12-26-75(62)83-78(64)73)42-55(53)46-71(67)79(70(66)45-54(52)41-58)68-22-10-7-19-65(68)76-60-16-6-5-15-51(60)33-40-69(76)79/h5-48H,1-4H3
InChIKeyNDALTFAKPIZBPJ-UHFFFAOYSA-N
XLogP22.47
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001065.33
LogP ≤ 522.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-N',17-N'-di(dibenzofuran-4-yl)-7-N',17-N'-bis(4-propan-2-ylphenyl)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 with MolForge

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Related Compounds

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
9-N',17-N'-di(dibenzofuran-4-yl)-9-N',17-N'-bis(4-propan-2-ylphenyl)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]-9',17'-diamine
CID 137492809
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
9-N,23-N-bis(9,9-dimethylfluoren-3-yl)-9-N,23-N-bis(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,23-N-bis(9,9-dimethylfluoren-4-yl)-9-N,23-N-bis(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,23-N-di(dibenzofuran-4-yl)-9-N,23-N-bis(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine
CID 158555256
N-(4-propan-2-ylphenyl)-N-spiro[pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene-21,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yldibenzofuran-4-amine
CID 130462457
2-N,7-N-di(dibenzofuran-4-yl)-2-N,7-N-bis(4-propan-2-ylphenyl)pyrene-2,7-diamine
CID 129082361
N-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-4-amine
CID 177114196
7-N',17-N'-diphenyl-7-N',17-N'-bis(2-phenylphenyl)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 137493452
N-(12,12-dimethyl-17-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 90140356
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-[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
N-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-yldibenzofuran-4-amine
CID 164960101

Frequently Asked Questions

What is the IUPAC name of 7-N',17-N'-di(dibenzofuran-4-yl)-7-N',17-N'-bis(4-propan-2-ylphenyl)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?
The IUPAC name of 7-N',17-N'-di(dibenzofuran-4-yl)-7-N',17-N'-bis(4-propan-2-ylphenyl)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 137494601) is 7-N',17-N'-di(dibenzofuran-4-yl)-7-N',17-N'-bis(4-propan-2-ylphenyl)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.
What is the SMILES notation for 7-N',17-N'-di(dibenzofuran-4-yl)-7-N',17-N'-bis(4-propan-2-ylphenyl)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?
The canonical SMILES for 7-N',17-N'-di(dibenzofuran-4-yl)-7-N',17-N'-bis(4-propan-2-ylphenyl)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 is CC(C)c1ccc(N(c2ccc3cc4c(cc3c2)C2(c3cc5cc(N(c6ccc(C(C)C)cc6)c6cccc7c6oc6ccccc67)ccc5cc3-4)c3ccccc3-c3c2ccc2ccccc32)c2cccc3c2oc2ccccc23)cc1.
What is the InChIKey of 7-N',17-N'-di(dibenzofuran-4-yl)-7-N',17-N'-bis(4-propan-2-ylphenyl)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?
The InChIKey is NDALTFAKPIZBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H56N2O2/c1-47(2)49-27-34-56(35-28-49)80(72-23-13-20-63-61-17-8-11-25-74(61)82-77(63)72)58-38-31-52-43-66-67-44-53-32-39-59(81(57-36-29-50(30-37-57)48(3)4)73-24-14-21-64-62-18-9-12-26-75(62)83-78(64)73)42-55(53)46-71(67)79(70(66)45-54(52)41-58)68-22-10-7-19-65(68)76-60-16-6-5-15-51(60)33-40-69(76)79/h5-48H,1-4H3.
What are the key properties of 7-N',17-N'-di(dibenzofuran-4-yl)-7-N',17-N'-bis(4-propan-2-ylphenyl)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?
7-N',17-N'-di(dibenzofuran-4-yl)-7-N',17-N'-bis(4-propan-2-ylphenyl)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 has a molecular weight of 1065.33 g/mol, XLogP of 22.47, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N',17-N'-di(dibenzofuran-4-yl)-7-N',17-N'-bis(4-propan-2-ylphenyl)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 is sourced from PubChem (CID 137494601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).