2-N'-(9,9-dimethylfluoren-1-yl)-2-N',17-N-bis(2-phenylphenyl)-17-N-(4-phenylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene-14,9'-fluorene]-2',17-diamine

C82H56N2O — CID 134195002

IUPAC2-N'-(9,9-dimethylfluoren-1-yl)-2-N',17-N-bis(2-phenylphenyl)-17-N-(4-phenylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene-14,9'-fluorene]-2',17-diamine
SMILESCC1(C)c2ccccc2-c2cccc(N(c3ccc4c(c3)C3(c5ccccc5-4)c4cc(N(c5ccc(-c6ccccc6)cc5)c5ccccc5-c5ccccc5)ccc4-c4c3ccc3oc5ccccc5c43)c3ccccc3-c3ccccc3)c21
InChIInChI=1S/C82H56N2O/c1-81(2)68-35-17-12-32-63(68)65-34-22-39-75(80(65)81)84(74-38-20-15-30-61(74)56-27-10-5-11-28-56)59-45-47-64-62-31-13-18-36-69(62)82(71(64)52-59)70-49-50-77-79(67-33-16-21-40-76(67)85-77)78(70)66-48-46-58(51-72(66)82)83(57-43-41-54(42-44-57)53-23-6-3-7-24-53)73-37-19-14-29-60(73)55-25-8-4-9-26-55/h3-52H,1-2H3
InChIKeyCLNFEJUUROQLRV-UHFFFAOYSA-N
MW1085.36 g/mol
LogP22.18
Rot. Bonds9

About 2-N'-(9,9-dimethylfluoren-1-yl)-2-N',17-N-bis(2-phenylphenyl)-17-N-(4-phenylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene-14,9'-fluorene]-2',17-diamine

2-N'-(9,9-dimethylfluoren-1-yl)-2-N',17-N-bis(2-phenylphenyl)-17-N-(4-phenylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene-14,9'-fluorene]-2',17-diamine (PubChem CID 134195002) has the molecular formula C82H56N2O and a molecular weight of 1085.36 g/mol. Its IUPAC name is 2-N'-(9,9-dimethylfluoren-1-yl)-2-N',17-N-bis(2-phenylphenyl)-17-N-(4-phenylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene-14,9'-fluorene]-2',17-diamine.

Molecular Properties

Compound Name2-N'-(9,9-dimethylfluoren-1-yl)-2-N',17-N-bis(2-phenylphenyl)-17-N-(4-phenylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene-14,9'-fluorene]-2',17-diamine
PubChem CID134195002
Molecular FormulaC82H56N2O
Molecular Weight1085.36 g/mol
Exact Mass1084.44
IUPAC Name2-N'-(9,9-dimethylfluoren-1-yl)-2-N',17-N-bis(2-phenylphenyl)-17-N-(4-phenylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene-14,9'-fluorene]-2',17-diamine
SMILESCC1(C)c2ccccc2-c2cccc(N(c3ccc4c(c3)C3(c5ccccc5-4)c4cc(N(c5ccc(-c6ccccc6)cc5)c5ccccc5-c5ccccc5)ccc4-c4c3ccc3oc5ccccc5c43)c3ccccc3-c3ccccc3)c21
InChIInChI=1S/C82H56N2O/c1-81(2)68-35-17-12-32-63(68)65-34-22-39-75(80(65)81)84(74-38-20-15-30-61(74)56-27-10-5-11-28-56)59-45-47-64-62-31-13-18-36-69(62)82(71(64)52-59)70-49-50-77-79(67-33-16-21-40-76(67)85-77)78(70)66-48-46-58(51-72(66)82)83(57-43-41-54(42-44-57)53-23-6-3-7-24-53)73-37-19-14-29-60(73)55-25-8-4-9-26-55/h3-52H,1-2H3
InChIKeyCLNFEJUUROQLRV-UHFFFAOYSA-N
XLogP22.18
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001085.36
LogP ≤ 522.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-N'-(9,9-dimethylfluoren-1-yl)-2-N',17-N-bis(2-phenylphenyl)-17-N-(4-phenylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene-14,9'-fluorene]-2',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

N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine
CID 122504141
N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine
CID 130465184
9,9-dimethyl-N-phenyl-N-(3-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-2'-ylphenyl)fluoren-2-amine
CID 167118024
N-dibenzofuran-3-yl-N-(2-phenylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine
CID 130463642
N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-2-amine;N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-2-amine
CID 164990095
N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-2-yl)spiro[fluoreno[2,3-b][1]benzofuran-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine;N-dibenzofuran-1-yl-N-(2-phenylphenyl)spiro[fluoreno[2,3-b][1]benzofuran-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine;N-dibenzofuran-2-yl-N-(4-phenylphenyl)spiro[fluoreno[2,3-b][1]benzofuran-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine
CID 162006109
7'-phenyl-N,N-bis(4-phenylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine
CID 122504195
N-(2-dibenzofuran-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 176583375
N-(9,9-dimethylfluoren-4-yl)-N-(3,5-diphenylphenyl)spiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran]-3-amine;N-(9,9-dimethylfluoren-1-yl)-N-(2-phenylphenyl)spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-3-amine;N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)spiro[fluorene-9,12'-fluoreno[2,1-b][1]benzofuran]-3-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,12'-fluoreno[1,2-b][1]benzofuran]-3-amine;N-(9,9-dimethylfluoren-4-yl)-N-(3-phenylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-3'-amine
CID 159065015
N-dibenzofuran-1-yl-N-(2-phenylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine
CID 130465181
N-(9,9-dimethylfluoren-2-yl)-N-[2-(4-phenylphenyl)phenyl]spiro[fluoreno[2,3-b][1]benzofuran-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine
CID 130462998
N-(4-dibenzofuran-3-ylphenyl)-9,9-dimethyl-N-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine
CID 138462029

Frequently Asked Questions

What is the IUPAC name of 2-N'-(9,9-dimethylfluoren-1-yl)-2-N',17-N-bis(2-phenylphenyl)-17-N-(4-phenylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene-14,9'-fluorene]-2',17-diamine?
The IUPAC name of 2-N'-(9,9-dimethylfluoren-1-yl)-2-N',17-N-bis(2-phenylphenyl)-17-N-(4-phenylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene-14,9'-fluorene]-2',17-diamine (CID 134195002) is 2-N'-(9,9-dimethylfluoren-1-yl)-2-N',17-N-bis(2-phenylphenyl)-17-N-(4-phenylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene-14,9'-fluorene]-2',17-diamine.
What is the SMILES notation for 2-N'-(9,9-dimethylfluoren-1-yl)-2-N',17-N-bis(2-phenylphenyl)-17-N-(4-phenylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene-14,9'-fluorene]-2',17-diamine?
The canonical SMILES for 2-N'-(9,9-dimethylfluoren-1-yl)-2-N',17-N-bis(2-phenylphenyl)-17-N-(4-phenylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene-14,9'-fluorene]-2',17-diamine is CC1(C)c2ccccc2-c2cccc(N(c3ccc4c(c3)C3(c5ccccc5-4)c4cc(N(c5ccc(-c6ccccc6)cc5)c5ccccc5-c5ccccc5)ccc4-c4c3ccc3oc5ccccc5c43)c3ccccc3-c3ccccc3)c21.
What is the InChIKey of 2-N'-(9,9-dimethylfluoren-1-yl)-2-N',17-N-bis(2-phenylphenyl)-17-N-(4-phenylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene-14,9'-fluorene]-2',17-diamine?
The InChIKey is CLNFEJUUROQLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H56N2O/c1-81(2)68-35-17-12-32-63(68)65-34-22-39-75(80(65)81)84(74-38-20-15-30-61(74)56-27-10-5-11-28-56)59-45-47-64-62-31-13-18-36-69(62)82(71(64)52-59)70-49-50-77-79(67-33-16-21-40-76(67)85-77)78(70)66-48-46-58(51-72(66)82)83(57-43-41-54(42-44-57)53-23-6-3-7-24-53)73-37-19-14-29-60(73)55-25-8-4-9-26-55/h3-52H,1-2H3.
What are the key properties of 2-N'-(9,9-dimethylfluoren-1-yl)-2-N',17-N-bis(2-phenylphenyl)-17-N-(4-phenylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene-14,9'-fluorene]-2',17-diamine?
2-N'-(9,9-dimethylfluoren-1-yl)-2-N',17-N-bis(2-phenylphenyl)-17-N-(4-phenylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene-14,9'-fluorene]-2',17-diamine has a molecular weight of 1085.36 g/mol, XLogP of 22.18, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N'-(9,9-dimethylfluoren-1-yl)-2-N',17-N-bis(2-phenylphenyl)-17-N-(4-phenylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene-14,9'-fluorene]-2',17-diamine is sourced from PubChem (CID 134195002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).