2',7'-ditert-butyl-N-(2-carbazol-9-ylphenyl)-N-(2',7'-ditert-butylspiro[fluorene-9,9'-xanthene]-4-yl)spiro[fluorene-9,9'-xanthene]-2-amine

C84H74N2O2 — CID 174291629

IUPAC2',7'-ditert-butyl-N-(2-carbazol-9-ylphenyl)-N-(2',7'-ditert-butylspiro[fluorene-9,9'-xanthene]-4-yl)spiro[fluorene-9,9'-xanthene]-2-amine
SMILESCC(C)(C)c1ccc2c(c1)C1(c3cc(C(C)(C)C)ccc3O2)c2ccccc2-c2ccc(N(c3ccccc3-n3c4ccccc4c4ccccc43)c3cccc4c3-c3ccccc3C43c4cc(C(C)(C)C)ccc4Oc4ccc(C(C)(C)C)cc43)cc21
InChIInChI=1S/C84H74N2O2/c1-79(2,3)51-36-42-74-65(46-51)83(66-47-52(80(4,5)6)37-43-75(66)87-74)62-29-18-14-27-60(62)78-63(83)30-23-35-73(78)85(71-33-21-22-34-72(71)86-69-31-19-15-25-58(69)59-26-16-20-32-70(59)86)55-40-41-57-56-24-13-17-28-61(56)84(64(57)50-55)67-48-53(81(7,8)9)38-44-76(67)88-77-45-39-54(49-68(77)84)82(10,11)12/h13-50H,1-12H3
InChIKeyGVVJWJSEIMEPPI-UHFFFAOYSA-N
MW1143.53 g/mol
LogP22.38
Rot. Bonds4

About 2',7'-ditert-butyl-N-(2-carbazol-9-ylphenyl)-N-(2',7'-ditert-butylspiro[fluorene-9,9'-xanthene]-4-yl)spiro[fluorene-9,9'-xanthene]-2-amine

2',7'-ditert-butyl-N-(2-carbazol-9-ylphenyl)-N-(2',7'-ditert-butylspiro[fluorene-9,9'-xanthene]-4-yl)spiro[fluorene-9,9'-xanthene]-2-amine (PubChem CID 174291629) has the molecular formula C84H74N2O2 and a molecular weight of 1143.53 g/mol. Its IUPAC name is 2',7'-ditert-butyl-N-(2-carbazol-9-ylphenyl)-N-(2',7'-ditert-butylspiro[fluorene-9,9'-xanthene]-4-yl)spiro[fluorene-9,9'-xanthene]-2-amine.

Molecular Properties

Compound Name2',7'-ditert-butyl-N-(2-carbazol-9-ylphenyl)-N-(2',7'-ditert-butylspiro[fluorene-9,9'-xanthene]-4-yl)spiro[fluorene-9,9'-xanthene]-2-amine
PubChem CID174291629
Molecular FormulaC84H74N2O2
Molecular Weight1143.53 g/mol
Exact Mass1142.58
IUPAC Name2',7'-ditert-butyl-N-(2-carbazol-9-ylphenyl)-N-(2',7'-ditert-butylspiro[fluorene-9,9'-xanthene]-4-yl)spiro[fluorene-9,9'-xanthene]-2-amine
SMILESCC(C)(C)c1ccc2c(c1)C1(c3cc(C(C)(C)C)ccc3O2)c2ccccc2-c2ccc(N(c3ccccc3-n3c4ccccc4c4ccccc43)c3cccc4c3-c3ccccc3C43c4cc(C(C)(C)C)ccc4Oc4ccc(C(C)(C)C)cc43)cc21
InChIInChI=1S/C84H74N2O2/c1-79(2,3)51-36-42-74-65(46-51)83(66-47-52(80(4,5)6)37-43-75(66)87-74)62-29-18-14-27-60(62)78-63(83)30-23-35-73(78)85(71-33-21-22-34-72(71)86-69-31-19-15-25-58(69)59-26-16-20-32-70(59)86)55-40-41-57-56-24-13-17-28-61(56)84(64(57)50-55)67-48-53(81(7,8)9)38-44-76(67)88-77-45-39-54(49-68(77)84)82(10,11)12/h13-50H,1-12H3
InChIKeyGVVJWJSEIMEPPI-UHFFFAOYSA-N
XLogP22.38
TPSA26.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001143.53
LogP ≤ 522.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2',7'-ditert-butyl-N-(2-carbazol-9-ylphenyl)-N-(2',7'-ditert-butylspiro[fluorene-9,9'-xanthene]-4-yl)spiro[fluorene-9,9'-xanthene]-2-amine 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

2',7'-ditert-butyl-N-(2-dibenzofuran-4-ylphenyl)-N-(2',7'-ditert-butylspiro[fluorene-9,9'-xanthene]-4-yl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 174287074
2',7'-ditert-butyl-N-dibenzothiophen-1-yl-N-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-2'-yl)spiro[fluorene-9,9'-xanthene]-4-amine
CID 174286860
2',7'-ditert-butyl-N-dibenzofuran-4-yl-N-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-2'-yl)spiro[fluorene-9,9'-xanthene]-4-amine
CID 174287136
N,N-bis(9,9'-spirobi[fluorene]-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine
CID 135168118
2',7'-ditert-butyl-N-(9,9-diphenylfluoren-2-yl)-N-[2-(4-phenylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]-4-amine
CID 174278515
2,7-ditert-butyl-N-naphthalen-1-yl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,9'-xanthene]-2'-amine
CID 174282092
2',7'-ditert-butyl-N-(2-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-4-amine
CID 174287009
N,N-di(spiro[fluorene-9,9'-xanthene]-4-yl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138476433
N-(9,9'-spirobi[fluorene]-2-yl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-4-amine
CID 138475996
N-(9,9'-spirobi[fluorene]-4-yl)-N-triphenylen-2-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine
CID 135168024
2',7'-ditert-butyl-N,N-bis(9,9-diphenylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 174284062
2',7'-ditert-butyl-N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 174284182

Frequently Asked Questions

What is the IUPAC name of 2',7'-ditert-butyl-N-(2-carbazol-9-ylphenyl)-N-(2',7'-ditert-butylspiro[fluorene-9,9'-xanthene]-4-yl)spiro[fluorene-9,9'-xanthene]-2-amine?
The IUPAC name of 2',7'-ditert-butyl-N-(2-carbazol-9-ylphenyl)-N-(2',7'-ditert-butylspiro[fluorene-9,9'-xanthene]-4-yl)spiro[fluorene-9,9'-xanthene]-2-amine (CID 174291629) is 2',7'-ditert-butyl-N-(2-carbazol-9-ylphenyl)-N-(2',7'-ditert-butylspiro[fluorene-9,9'-xanthene]-4-yl)spiro[fluorene-9,9'-xanthene]-2-amine.
What is the SMILES notation for 2',7'-ditert-butyl-N-(2-carbazol-9-ylphenyl)-N-(2',7'-ditert-butylspiro[fluorene-9,9'-xanthene]-4-yl)spiro[fluorene-9,9'-xanthene]-2-amine?
The canonical SMILES for 2',7'-ditert-butyl-N-(2-carbazol-9-ylphenyl)-N-(2',7'-ditert-butylspiro[fluorene-9,9'-xanthene]-4-yl)spiro[fluorene-9,9'-xanthene]-2-amine is CC(C)(C)c1ccc2c(c1)C1(c3cc(C(C)(C)C)ccc3O2)c2ccccc2-c2ccc(N(c3ccccc3-n3c4ccccc4c4ccccc43)c3cccc4c3-c3ccccc3C43c4cc(C(C)(C)C)ccc4Oc4ccc(C(C)(C)C)cc43)cc21.
What is the InChIKey of 2',7'-ditert-butyl-N-(2-carbazol-9-ylphenyl)-N-(2',7'-ditert-butylspiro[fluorene-9,9'-xanthene]-4-yl)spiro[fluorene-9,9'-xanthene]-2-amine?
The InChIKey is GVVJWJSEIMEPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H74N2O2/c1-79(2,3)51-36-42-74-65(46-51)83(66-47-52(80(4,5)6)37-43-75(66)87-74)62-29-18-14-27-60(62)78-63(83)30-23-35-73(78)85(71-33-21-22-34-72(71)86-69-31-19-15-25-58(69)59-26-16-20-32-70(59)86)55-40-41-57-56-24-13-17-28-61(56)84(64(57)50-55)67-48-53(81(7,8)9)38-44-76(67)88-77-45-39-54(49-68(77)84)82(10,11)12/h13-50H,1-12H3.
What are the key properties of 2',7'-ditert-butyl-N-(2-carbazol-9-ylphenyl)-N-(2',7'-ditert-butylspiro[fluorene-9,9'-xanthene]-4-yl)spiro[fluorene-9,9'-xanthene]-2-amine?
2',7'-ditert-butyl-N-(2-carbazol-9-ylphenyl)-N-(2',7'-ditert-butylspiro[fluorene-9,9'-xanthene]-4-yl)spiro[fluorene-9,9'-xanthene]-2-amine has a molecular weight of 1143.53 g/mol, XLogP of 22.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2',7'-ditert-butyl-N-(2-carbazol-9-ylphenyl)-N-(2',7'-ditert-butylspiro[fluorene-9,9'-xanthene]-4-yl)spiro[fluorene-9,9'-xanthene]-2-amine is sourced from PubChem (CID 174291629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).