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

C89H66N2O2 — CID 137494594

IUPAC3,6-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
SMILESCC(C)(C)c1ccc2c(c1)-c1cc(C(C)(C)C)ccc1C21c2c(ccc3cc(N(c4ccc(-c5ccccc5)cc4)c4cccc5c4oc4ccccc45)ccc23)-c2ccc3cc(N(c4ccc(-c5ccccc5)cc4)c4cccc5c4oc4ccccc45)ccc3c21
InChIInChI=1S/C89H66N2O2/c1-87(2,3)61-37-49-77-75(53-61)76-54-62(88(4,5)6)38-50-78(76)89(77)83-67-47-43-65(90(63-39-31-57(32-40-63)55-19-9-7-10-20-55)79-27-17-25-73-69-23-13-15-29-81(69)92-85(73)79)51-59(67)35-45-71(83)72-46-36-60-52-66(44-48-68(60)84(72)89)91(64-41-33-58(34-42-64)56-21-11-8-12-22-56)80-28-18-26-74-70-24-14-16-30-82(70)93-86(74)80/h7-54H,1-6H3
InChIKeyMAVJYACEQRZWLP-UHFFFAOYSA-N
MW1195.52 g/mol
LogP25.00
Rot. Bonds8

About 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

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 (PubChem CID 137494594) has the molecular formula C89H66N2O2 and a molecular weight of 1195.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3,6-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
PubChem CID137494594
Molecular FormulaC89H66N2O2
Molecular Weight1195.52 g/mol
Exact Mass1194.51
IUPAC Name3,6-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
SMILESCC(C)(C)c1ccc2c(c1)-c1cc(C(C)(C)C)ccc1C21c2c(ccc3cc(N(c4ccc(-c5ccccc5)cc4)c4cccc5c4oc4ccccc45)ccc23)-c2ccc3cc(N(c4ccc(-c5ccccc5)cc4)c4cccc5c4oc4ccccc45)ccc3c21
InChIInChI=1S/C89H66N2O2/c1-87(2,3)61-37-49-77-75(53-61)76-54-62(88(4,5)6)38-50-78(76)89(77)83-67-47-43-65(90(63-39-31-57(32-40-63)55-19-9-7-10-20-55)79-27-17-25-73-69-23-13-15-29-81(69)92-85(73)79)51-59(67)35-45-71(83)72-46-36-60-52-66(44-48-68(60)84(72)89)91(64-41-33-58(34-42-64)56-21-11-8-12-22-56)80-28-18-26-74-70-24-14-16-30-82(70)93-86(74)80/h7-54H,1-6H3
InChIKeyMAVJYACEQRZWLP-UHFFFAOYSA-N
XLogP25.00
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms93
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001195.52
LogP ≤ 525.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

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-(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-[17-(4-tert-butylphenyl)-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl]-N-phenyldibenzofuran-4-amine
CID 166032684
7-N,17-N-bis(4-tert-butylphenyl)-7-N,17-N-di(dibenzofuran-4-yl)-12,12-dimethylpentacyclo[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 90140184
7-N',17-N'-diphenyl-7-N',17-N'-bis(6-phenyldibenzofuran-4-yl)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 137492765
5-N,20-N-di(dibenzofuran-4-yl)-25,25-dimethyl-5-N,20-N-bis(4-phenylphenyl)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-5,20-diamine
CID 121431249
N-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 167182773
6-N,17-N-bis(4-tert-butylphenyl)-6-N,17-N-di(dibenzofuran-4-yl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine
CID 166033162
N-[3-methyl-4-(9,9'-spirobi[fluorene]-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 130379438
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
N-[4-[4-(N-(9,9-dimethylfluoren-3-yl)-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 71126808
9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-ylphenyl)fluoren-2-amine;N-(4-phenylphenyl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-yldibenzofuran-4-amine
CID 159624894

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1ccc2c(c1)-c1cc(C(C)(C)C)ccc1C21c2c(ccc3cc(N(c4ccc(-c5ccccc5)cc4)c4cccc5c4oc4ccccc45)ccc23)-c2ccc3cc(N(c4ccc(-c5ccccc5)cc4)c4cccc5c4oc4ccccc45)ccc3c21.
What is the InChIKey of 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?
The InChIKey is MAVJYACEQRZWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C89H66N2O2/c1-87(2,3)61-37-49-77-75(53-61)76-54-62(88(4,5)6)38-50-78(76)89(77)83-67-47-43-65(90(63-39-31-57(32-40-63)55-19-9-7-10-20-55)79-27-17-25-73-69-23-13-15-29-81(69)92-85(73)79)51-59(67)35-45-71(83)72-46-36-60-52-66(44-48-68(60)84(72)89)91(64-41-33-58(34-42-64)56-21-11-8-12-22-56)80-28-18-26-74-70-24-14-16-30-82(70)93-86(74)80/h7-54H,1-6H3.
What are the key properties of 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?
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 has a molecular weight of 1195.52 g/mol, XLogP of 25.00, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 137494594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).