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

C59H36N2O2 — CID 164794803

IUPAC9-dibenzofuran-3-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-2-amine
SMILESc1ccc(N(c2ccc3c4ccccc4n(-c4ccc5c(c4)oc4ccccc45)c3c2)c2ccc3c4c(cccc24)C2(c4ccccc4Oc4ccccc42)c2ccccc2-3)cc1
InChIInChI=1S/C59H36N2O2/c1-2-15-37(16-3-1)60(38-29-31-42-41-18-5-10-25-51(41)61(53(42)35-38)39-30-32-44-43-19-6-11-26-54(43)62-57(44)36-39)52-34-33-45-40-17-4-7-21-47(40)59(50-24-14-20-46(52)58(45)50)48-22-8-12-27-55(48)63-56-28-13-9-23-49(56)59/h1-36H
InChIKeyIVZJGXRKDIADAQ-UHFFFAOYSA-N
MW804.95 g/mol
LogP15.77
Rot. Bonds4

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

9-dibenzofuran-3-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-2-amine (PubChem CID 164794803) has the molecular formula C59H36N2O2 and a molecular weight of 804.95 g/mol. Its IUPAC name is 9-dibenzofuran-3-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-2-amine.

Molecular Properties

Compound Name9-dibenzofuran-3-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-2-amine
PubChem CID164794803
Molecular FormulaC59H36N2O2
Molecular Weight804.95 g/mol
Exact Mass804.28
IUPAC Name9-dibenzofuran-3-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-2-amine
SMILESc1ccc(N(c2ccc3c4ccccc4n(-c4ccc5c(c4)oc4ccccc45)c3c2)c2ccc3c4c(cccc24)C2(c4ccccc4Oc4ccccc42)c2ccccc2-3)cc1
InChIInChI=1S/C59H36N2O2/c1-2-15-37(16-3-1)60(38-29-31-42-41-18-5-10-25-51(41)61(53(42)35-38)39-30-32-44-43-19-6-11-26-54(43)62-57(44)36-39)52-34-33-45-40-17-4-7-21-47(40)59(50-24-14-20-46(52)58(45)50)48-22-8-12-27-55(48)63-56-28-13-9-23-49(56)59/h1-36H
InChIKeyIVZJGXRKDIADAQ-UHFFFAOYSA-N
XLogP15.77
TPSA30.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.95
LogP ≤ 515.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-dibenzothiophen-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-2-amine
CID 164794771
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-dibenzofuran-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine
CID 164793881
N-dibenzofuran-1-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine;9-dibenzofuran-2-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine;9-dibenzofuran-3-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine
CID 165068251
N-dibenzofuran-2-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-2-amine
CID 164794806
N,9-diphenyl-N-(9-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-3-yl)carbazol-2-amine
CID 164732106
N,9-dinaphthalen-2-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine;N-naphthalen-1-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine;N-naphthalen-2-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine;9-naphthalen-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine
CID 165032173
N-dibenzofuran-1-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-3-amine;9-dibenzofuran-1-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-3-amine;9-dibenzofuran-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-3-amine;9-dibenzofuran-3-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-3-amine
CID 165051170
N-dibenzofuran-3-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-9-ylcarbazol-2-amine
CID 164732009
9-dibenzofuran-1-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;9-dibenzofuran-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;N-naphthalen-2-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine
CID 164949941
N-[3-[3-(9-dibenzofuran-2-ylcarbazol-2-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine
CID 118505770
N-dibenzofuran-3-yl-N-phenylspiro[fluoreno[3,2-b][1]benzofuran-11,9'-xanthene]-1-amine
CID 162771436

Frequently Asked Questions

What is the IUPAC name of 9-dibenzofuran-3-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-2-amine?
The IUPAC name of 9-dibenzofuran-3-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-2-amine (CID 164794803) is 9-dibenzofuran-3-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-2-amine.
What is the SMILES notation for 9-dibenzofuran-3-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-2-amine?
The canonical SMILES for 9-dibenzofuran-3-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-2-amine is c1ccc(N(c2ccc3c4ccccc4n(-c4ccc5c(c4)oc4ccccc45)c3c2)c2ccc3c4c(cccc24)C2(c4ccccc4Oc4ccccc42)c2ccccc2-3)cc1.
What is the InChIKey of 9-dibenzofuran-3-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-2-amine?
The InChIKey is IVZJGXRKDIADAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H36N2O2/c1-2-15-37(16-3-1)60(38-29-31-42-41-18-5-10-25-51(41)61(53(42)35-38)39-30-32-44-43-19-6-11-26-54(43)62-57(44)36-39)52-34-33-45-40-17-4-7-21-47(40)59(50-24-14-20-46(52)58(45)50)48-22-8-12-27-55(48)63-56-28-13-9-23-49(56)59/h1-36H.
What are the key properties of 9-dibenzofuran-3-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-2-amine?
9-dibenzofuran-3-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-2-amine has a molecular weight of 804.95 g/mol, XLogP of 15.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzofuran-3-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-2-amine is sourced from PubChem (CID 164794803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).