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

C75H54N2O2 — CID 137492809

IUPAC9-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
SMILESCC(C)c1ccc(N(c2ccc3cc4c(cc3c2)C2(c3ccccc3-c3ccccc32)c2cc(N(c3ccc(C(C)C)cc3)c3cccc5c3oc3ccccc35)c3ccccc3c2-4)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C75H54N2O2/c1-45(2)47-31-36-51(37-32-47)76(67-27-15-23-60-57-20-9-13-29-70(57)78-73(60)67)53-40-35-49-42-62-65(43-50(49)41-53)75(63-25-11-7-17-54(63)55-18-8-12-26-64(55)75)66-44-69(56-19-5-6-22-59(56)72(62)66)77(52-38-33-48(34-39-52)46(3)4)68-28-16-24-61-58-21-10-14-30-71(58)79-74(61)68/h5-46H,1-4H3
InChIKeyWSZWJQBIWLRLJH-UHFFFAOYSA-N
MW1015.27 g/mol
LogP21.32
Rot. Bonds8

About 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

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 (PubChem CID 137492809) has the molecular formula C75H54N2O2 and a molecular weight of 1015.27 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-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
PubChem CID137492809
Molecular FormulaC75H54N2O2
Molecular Weight1015.27 g/mol
Exact Mass1014.42
IUPAC Name9-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
SMILESCC(C)c1ccc(N(c2ccc3cc4c(cc3c2)C2(c3ccccc3-c3ccccc32)c2cc(N(c3ccc(C(C)C)cc3)c3cccc5c3oc3ccccc35)c3ccccc3c2-4)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C75H54N2O2/c1-45(2)47-31-36-51(37-32-47)76(67-27-15-23-60-57-20-9-13-29-70(57)78-73(60)67)53-40-35-49-42-62-65(43-50(49)41-53)75(63-25-11-7-17-54(63)55-18-8-12-26-64(55)75)66-44-69(56-19-5-6-22-59(56)72(62)66)77(52-38-33-48(34-39-52)46(3)4)68-28-16-24-61-58-21-10-14-30-71(58)79-74(61)68/h5-46H,1-4H3
InChIKeyWSZWJQBIWLRLJH-UHFFFAOYSA-N
XLogP21.32
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001015.27
LogP ≤ 521.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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-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
9-N',17-N'-bis(4-ethylphenyl)-9-N'-phenyl-17-N'-[3-[4-(4-propan-2-yl-N-[17'-(N-(4-propan-2-ylphenyl)anilino)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'-yl]anilino)phenyl]phenyl]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 174251318
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',15-N'-di(dibenzofuran-4-yl)-9-N',15-N'-bis(3-methylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine
CID 137493854
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
2-N,7-N-di(dibenzofuran-4-yl)-2-N,7-N-bis(4-propan-2-ylphenyl)pyrene-2,7-diamine
CID 129082361
N-[7-[5-[dibenzofuran-4-yl(naphthalen-2-yl)amino]-7-phenylbenzo[c]fluoren-7-yl]-7-phenylbenzo[c]fluoren-5-yl]-N-naphthalen-2-yldibenzofuran-4-amine
CID 140862681
25,25-ditert-butyl-5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(2-phenylphenyl)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;25,25-ditert-butyl-5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(3-phenylphenyl)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;25,25-ditert-butyl-5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(4-phenylphenyl)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;25,25-ditert-butyl-5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(4-propan-2-ylphenyl)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 158896691
9-N',17-N'-diphenyl-9-N',17-N'-bis(4-phenylphenyl)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 137492787
N-(13,20-diphenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaenyl)-N-(2-methyl-5-propan-2-ylphenyl)dibenzofuran-4-amine
CID 166033505

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1ccc(N(c2ccc3cc4c(cc3c2)C2(c3ccccc3-c3ccccc32)c2cc(N(c3ccc(C(C)C)cc3)c3cccc5c3oc3ccccc35)c3ccccc3c2-4)c2cccc3c2oc2ccccc23)cc1.
What is the InChIKey of 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?
The InChIKey is WSZWJQBIWLRLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H54N2O2/c1-45(2)47-31-36-51(37-32-47)76(67-27-15-23-60-57-20-9-13-29-70(57)78-73(60)67)53-40-35-49-42-62-65(43-50(49)41-53)75(63-25-11-7-17-54(63)55-18-8-12-26-64(55)75)66-44-69(56-19-5-6-22-59(56)72(62)66)77(52-38-33-48(34-39-52)46(3)4)68-28-16-24-61-58-21-10-14-30-71(58)79-74(61)68/h5-46H,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 1015.27 g/mol, XLogP of 21.32, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 137492809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).