N-(4-carbazol-9-ylphenyl)-2',7'-diethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine;tris(N-(4-carbazol-9-ylphenyl)-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine)

C206H148N8 — CID 162201346

IUPACN-(4-carbazol-9-ylphenyl)-2',7'-diethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine;tris(N-(4-carbazol-9-ylphenyl)-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine)
SMILESCCc1ccc2c(c1)C1(c3ccccc3-c3ccc(N(c4ccccc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc31)c1cc(CC)ccc1-2.Cc1ccc2c(c1)C1(c3ccccc3-c3ccc(N(c4ccccc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc31)c1cc(C)ccc1-2.Cc1ccc2c(c1)C1(c3ccccc3-c3ccc(N(c4ccccc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc31)c1cc(C)ccc1-2.Cc1ccc2c(c1)C1(c3ccccc3-c3ccc(N(c4ccccc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc31)c1cc(C)ccc1-2
InChIInChI=1S/C53H40N2.3C51H36N2/c1-3-35-22-29-42-43-30-23-36(4-2)33-49(43)53(48(42)32-35)47-19-11-8-16-41(47)44-31-28-40(34-50(44)53)54(37-14-6-5-7-15-37)38-24-26-39(27-25-38)55-51-20-12-9-17-45(51)46-18-10-13-21-52(46)55;3*1-33-20-27-40-41-28-21-34(2)31-47(41)51(46(40)30-33)45-17-9-6-14-39(45)42-29-26-38(32-48(42)51)52(35-12-4-3-5-13-35)36-22-24-37(25-23-36)53-49-18-10-7-15-43(49)44-16-8-11-19-50(44)53/h5-34H,3-4H2,1-2H3;3*3-32H,1-2H3
InChIKeyZRPWRJCNPAJPTG-UHFFFAOYSA-N
MW2735.51 g/mol
LogP53.36
Rot. Bonds18

About N-(4-carbazol-9-ylphenyl)-2',7'-diethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine;tris(N-(4-carbazol-9-ylphenyl)-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine)

N-(4-carbazol-9-ylphenyl)-2',7'-diethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine;tris(N-(4-carbazol-9-ylphenyl)-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine) (PubChem CID 162201346) has the molecular formula C206H148N8 and a molecular weight of 2735.51 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-2',7'-diethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine;tris(N-(4-carbazol-9-ylphenyl)-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine).

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-2',7'-diethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine;tris(N-(4-carbazol-9-ylphenyl)-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine)
PubChem CID162201346
Molecular FormulaC206H148N8
Molecular Weight2735.51 g/mol
Exact Mass2733.18
IUPAC NameN-(4-carbazol-9-ylphenyl)-2',7'-diethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine;tris(N-(4-carbazol-9-ylphenyl)-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine)
SMILESCCc1ccc2c(c1)C1(c3ccccc3-c3ccc(N(c4ccccc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc31)c1cc(CC)ccc1-2.Cc1ccc2c(c1)C1(c3ccccc3-c3ccc(N(c4ccccc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc31)c1cc(C)ccc1-2.Cc1ccc2c(c1)C1(c3ccccc3-c3ccc(N(c4ccccc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc31)c1cc(C)ccc1-2.Cc1ccc2c(c1)C1(c3ccccc3-c3ccc(N(c4ccccc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc31)c1cc(C)ccc1-2
InChIInChI=1S/C53H40N2.3C51H36N2/c1-3-35-22-29-42-43-30-23-36(4-2)33-49(43)53(48(42)32-35)47-19-11-8-16-41(47)44-31-28-40(34-50(44)53)54(37-14-6-5-7-15-37)38-24-26-39(27-25-38)55-51-20-12-9-17-45(51)46-18-10-13-21-52(46)55;3*1-33-20-27-40-41-28-21-34(2)31-47(41)51(46(40)30-33)45-17-9-6-14-39(45)42-29-26-38(32-48(42)51)52(35-12-4-3-5-13-35)36-22-24-37(25-23-36)53-49-18-10-7-15-43(49)44-16-8-11-19-50(44)53/h5-34H,3-4H2,1-2H3;3*3-32H,1-2H3
InChIKeyZRPWRJCNPAJPTG-UHFFFAOYSA-N
XLogP53.36
TPSA32.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms214
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002735.51
LogP ≤ 553.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-(4-carbazol-9-ylphenyl)-2',7'-diethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine;tris(N-(4-carbazol-9-ylphenyl)-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine) with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-2',7'-diethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine;tris(N-(4-carbazol-9-ylphenyl)-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine)?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-2',7'-diethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine;tris(N-(4-carbazol-9-ylphenyl)-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine) (CID 162201346) is N-(4-carbazol-9-ylphenyl)-2',7'-diethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine;tris(N-(4-carbazol-9-ylphenyl)-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine).
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-2',7'-diethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine;tris(N-(4-carbazol-9-ylphenyl)-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine)?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-2',7'-diethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine;tris(N-(4-carbazol-9-ylphenyl)-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine) is CCc1ccc2c(c1)C1(c3ccccc3-c3ccc(N(c4ccccc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc31)c1cc(CC)ccc1-2.Cc1ccc2c(c1)C1(c3ccccc3-c3ccc(N(c4ccccc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc31)c1cc(C)ccc1-2.Cc1ccc2c(c1)C1(c3ccccc3-c3ccc(N(c4ccccc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc31)c1cc(C)ccc1-2.Cc1ccc2c(c1)C1(c3ccccc3-c3ccc(N(c4ccccc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc31)c1cc(C)ccc1-2.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-2',7'-diethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine;tris(N-(4-carbazol-9-ylphenyl)-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine)?
The InChIKey is ZRPWRJCNPAJPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H40N2.3C51H36N2/c1-3-35-22-29-42-43-30-23-36(4-2)33-49(43)53(48(42)32-35)47-19-11-8-16-41(47)44-31-28-40(34-50(44)53)54(37-14-6-5-7-15-37)38-24-26-39(27-25-38)55-51-20-12-9-17-45(51)46-18-10-13-21-52(46)55;3*1-33-20-27-40-41-28-21-34(2)31-47(41)51(46(40)30-33)45-17-9-6-14-39(45)42-29-26-38(32-48(42)51)52(35-12-4-3-5-13-35)36-22-24-37(25-23-36)53-49-18-10-7-15-43(49)44-16-8-11-19-50(44)53/h5-34H,3-4H2,1-2H3;3*3-32H,1-2H3.
What are the key properties of N-(4-carbazol-9-ylphenyl)-2',7'-diethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine;tris(N-(4-carbazol-9-ylphenyl)-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine)?
N-(4-carbazol-9-ylphenyl)-2',7'-diethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine;tris(N-(4-carbazol-9-ylphenyl)-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine) has a molecular weight of 2735.51 g/mol, XLogP of 53.36, 18 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbazol-9-ylphenyl)-2',7'-diethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine;tris(N-(4-carbazol-9-ylphenyl)-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine) is sourced from PubChem (CID 162201346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).