N-dibenzofuran-1-yl-9-phenyl-N-(1',2',3',4'-tetradeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-9-yl)carbazol-2-amine

C59H36N2O — CID 164975470

IUPACN-dibenzofuran-1-yl-9-phenyl-N-(1',2',3',4'-tetradeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-9-yl)carbazol-2-amine
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])-c1ccccc1C21c2cc(N(c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c3cccc4oc5ccccc5c34)ccc2-c2cccc3cccc1c23
InChIInChI=1S/C59H36N2O/c1-2-17-38(18-3-1)61-52-27-10-6-21-44(52)45-34-32-40(36-54(45)61)60(53-28-14-30-56-58(53)47-22-7-11-29-55(47)62-56)39-31-33-43-46-23-12-15-37-16-13-26-50(57(37)46)59(51(43)35-39)48-24-8-4-19-41(48)42-20-5-9-25-49(42)59/h1-36H/i4D,8D,19D,24D
InChIKeyZVPXQXZUFKREIG-BIMCBOJISA-N
MW792.97 g/mol
LogP15.65
Rot. Bonds4

About N-dibenzofuran-1-yl-9-phenyl-N-(1',2',3',4'-tetradeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-9-yl)carbazol-2-amine

N-dibenzofuran-1-yl-9-phenyl-N-(1',2',3',4'-tetradeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-9-yl)carbazol-2-amine (PubChem CID 164975470) has the molecular formula C59H36N2O and a molecular weight of 792.97 g/mol. Its IUPAC name is N-dibenzofuran-1-yl-9-phenyl-N-(1',2',3',4'-tetradeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-9-yl)carbazol-2-amine.

Molecular Properties

Compound NameN-dibenzofuran-1-yl-9-phenyl-N-(1',2',3',4'-tetradeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-9-yl)carbazol-2-amine
PubChem CID164975470
Molecular FormulaC59H36N2O
Molecular Weight792.97 g/mol
Exact Mass792.31
IUPAC NameN-dibenzofuran-1-yl-9-phenyl-N-(1',2',3',4'-tetradeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-9-yl)carbazol-2-amine
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])-c1ccccc1C21c2cc(N(c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c3cccc4oc5ccccc5c34)ccc2-c2cccc3cccc1c23
InChIInChI=1S/C59H36N2O/c1-2-17-38(18-3-1)61-52-27-10-6-21-44(52)45-34-32-40(36-54(45)61)60(53-28-14-30-56-58(53)47-22-7-11-29-55(47)62-56)39-31-33-43-46-23-12-15-37-16-13-26-50(57(37)46)59(51(43)35-39)48-24-8-4-19-41(48)42-20-5-9-25-49(42)59/h1-36H/i4D,8D,19D,24D
InChIKeyZVPXQXZUFKREIG-BIMCBOJISA-N
XLogP15.65
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.97
LogP ≤ 515.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(1',2',3',4'-tetradeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-9-yl)carbazol-2-amine
CID 165065347
N-dibenzofuran-1-yl-N-(1,2,3,4,5,6-hexadeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-9-phenylcarbazol-3-amine
CID 165020402
N-dibenzofuran-3-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-9-ylcarbazol-2-amine
CID 164732009
N-dibenzofuran-1-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-2-amine;9-dibenzofuran-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-2-amine;9-dibenzofuran-3-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-2-amine
CID 165079772
9-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-N-(1',2',3',4'-tetradeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-4-yl)carbazol-3-amine
CID 165015040
N-dibenzofuran-3-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine
CID 164794269
N-dibenzofuran-1-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine
CID 164794572
N-dibenzofuran-2-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-2-amine
CID 164794806
N-dibenzofuran-1-yl-8-(9-phenylcarbazol-3-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-1-amine
CID 138577550
N-dibenzofuran-1-yl-9-(4-methylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine
CID 138716934
N-(1,2,3,4,5,6-hexadeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-4'-yl)-9-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine
CID 165069315
N,9-bis(2-phenylphenyl)-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine;N,9-diphenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine;N-phenyl-9-(2-phenylphenyl)-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine;9-phenyl-N-(2-phenylphenyl)-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine
CID 165106958

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-1-yl-9-phenyl-N-(1',2',3',4'-tetradeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-9-yl)carbazol-2-amine?
The IUPAC name of N-dibenzofuran-1-yl-9-phenyl-N-(1',2',3',4'-tetradeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-9-yl)carbazol-2-amine (CID 164975470) is N-dibenzofuran-1-yl-9-phenyl-N-(1',2',3',4'-tetradeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-9-yl)carbazol-2-amine.
What is the SMILES notation for N-dibenzofuran-1-yl-9-phenyl-N-(1',2',3',4'-tetradeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-9-yl)carbazol-2-amine?
The canonical SMILES for N-dibenzofuran-1-yl-9-phenyl-N-(1',2',3',4'-tetradeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-9-yl)carbazol-2-amine is [2H]c1c([2H])c([2H])c2c(c1[2H])-c1ccccc1C21c2cc(N(c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c3cccc4oc5ccccc5c34)ccc2-c2cccc3cccc1c23.
What is the InChIKey of N-dibenzofuran-1-yl-9-phenyl-N-(1',2',3',4'-tetradeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-9-yl)carbazol-2-amine?
The InChIKey is ZVPXQXZUFKREIG-BIMCBOJISA-N. The full InChI is InChI=1S/C59H36N2O/c1-2-17-38(18-3-1)61-52-27-10-6-21-44(52)45-34-32-40(36-54(45)61)60(53-28-14-30-56-58(53)47-22-7-11-29-55(47)62-56)39-31-33-43-46-23-12-15-37-16-13-26-50(57(37)46)59(51(43)35-39)48-24-8-4-19-41(48)42-20-5-9-25-49(42)59/h1-36H/i4D,8D,19D,24D.
What are the key properties of N-dibenzofuran-1-yl-9-phenyl-N-(1',2',3',4'-tetradeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-9-yl)carbazol-2-amine?
N-dibenzofuran-1-yl-9-phenyl-N-(1',2',3',4'-tetradeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-9-yl)carbazol-2-amine has a molecular weight of 792.97 g/mol, XLogP of 15.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-1-yl-9-phenyl-N-(1',2',3',4'-tetradeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-9-yl)carbazol-2-amine is sourced from PubChem (CID 164975470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).