N-dibenzofuran-3-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-9-ylcarbazol-2-amine

C59H36N2O — CID 164732009

IUPACN-dibenzofuran-3-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-9-ylcarbazol-2-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(N(c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4cccc6cccc-5c46)c4ccc5c(c4)oc4ccccc45)cc32)cc1
InChIInChI=1S/C59H36N2O/c1-2-16-38(17-3-1)61-54-26-10-6-20-45(54)46-32-29-40(35-55(46)61)60(41-30-33-48-47-21-7-11-27-56(47)62-57(48)36-41)39-28-31-44-49-22-12-14-37-15-13-25-52(58(37)49)59(53(44)34-39)50-23-8-4-18-42(50)43-19-5-9-24-51(43)59/h1-36H
InChIKeyHUHOVJKZFDFDDT-UHFFFAOYSA-N
MW788.95 g/mol
LogP15.65
Rot. Bonds4

About N-dibenzofuran-3-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-9-ylcarbazol-2-amine

N-dibenzofuran-3-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-9-ylcarbazol-2-amine (PubChem CID 164732009) has the molecular formula C59H36N2O and a molecular weight of 788.95 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-9-ylcarbazol-2-amine.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-9-ylcarbazol-2-amine
PubChem CID164732009
Molecular FormulaC59H36N2O
Molecular Weight788.95 g/mol
Exact Mass788.28
IUPAC NameN-dibenzofuran-3-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-9-ylcarbazol-2-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(N(c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4cccc6cccc-5c46)c4ccc5c(c4)oc4ccccc45)cc32)cc1
InChIInChI=1S/C59H36N2O/c1-2-16-38(17-3-1)61-54-26-10-6-20-45(54)46-32-29-40(35-55(46)61)60(41-30-33-48-47-21-7-11-27-56(47)62-57(48)36-41)39-28-31-44-49-22-12-14-37-15-13-25-52(58(37)49)59(53(44)34-39)50-23-8-4-18-42(50)43-19-5-9-24-51(43)59/h1-36H
InChIKeyHUHOVJKZFDFDDT-UHFFFAOYSA-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 ≤ 500788.95
LogP ≤ 515.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-dibenzofuran-3-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine
CID 164794269
N-dibenzofuran-2-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-2-amine
CID 164794806
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
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
N-dibenzofuran-2-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine
CID 164794710
N-naphthalen-2-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-naphthalen-2-yl-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine;N-phenyl-N-[3-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]dibenzofuran-3-amine;N-phenyl-N-[3-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]dibenzofuran-3-amine
CID 157487069
9-dibenzofuran-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine
CID 164793881
N,9-dinaphthalen-2-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine
CID 164732134
N-naphthalen-1-yl-9-phenyl-N-(9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3'-yl)carbazol-2-amine;N-naphthalen-1-yl-N-(9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3'-yl)dibenzofuran-3-amine;N-naphthalen-1-yl-N-(9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3-yl)dibenzothiophen-3-amine
CID 165083383
N-dibenzofuran-3-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine
CID 164794814
N-dibenzofuran-3-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-3-amine
CID 164794829
N-dibenzofuran-3-yl-9-phenyl-N-spiro[1,3-dihydroindene-2,9'-fluorene]-2'-ylcarbazol-2-amine
CID 162779852

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-9-ylcarbazol-2-amine?
The IUPAC name of N-dibenzofuran-3-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-9-ylcarbazol-2-amine (CID 164732009) is N-dibenzofuran-3-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-9-ylcarbazol-2-amine.
What is the SMILES notation for N-dibenzofuran-3-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-9-ylcarbazol-2-amine?
The canonical SMILES for N-dibenzofuran-3-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-9-ylcarbazol-2-amine is c1ccc(-n2c3ccccc3c3ccc(N(c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4cccc6cccc-5c46)c4ccc5c(c4)oc4ccccc45)cc32)cc1.
What is the InChIKey of N-dibenzofuran-3-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-9-ylcarbazol-2-amine?
The InChIKey is HUHOVJKZFDFDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H36N2O/c1-2-16-38(17-3-1)61-54-26-10-6-20-45(54)46-32-29-40(35-55(46)61)60(41-30-33-48-47-21-7-11-27-56(47)62-57(48)36-41)39-28-31-44-49-22-12-14-37-15-13-25-52(58(37)49)59(53(44)34-39)50-23-8-4-18-42(50)43-19-5-9-24-51(43)59/h1-36H.
What are the key properties of N-dibenzofuran-3-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-9-ylcarbazol-2-amine?
N-dibenzofuran-3-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-9-ylcarbazol-2-amine has a molecular weight of 788.95 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-3-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-9-ylcarbazol-2-amine is sourced from PubChem (CID 164732009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).