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

C59H36N2O2 — CID 164793881

IUPAC9-dibenzofuran-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine
SMILESc1ccc(N(c2ccc3c(c2)Oc2ccccc2C32c3ccccc3-c3cccc4cccc2c34)c2ccc3c4ccccc4n(-c4ccc5oc6ccccc6c5c4)c3c2)cc1
InChIInChI=1S/C59H36N2O2/c1-2-16-38(17-3-1)60(40-28-31-44-43-19-5-9-25-52(43)61(53(44)35-40)39-30-33-55-47(34-39)45-20-6-10-26-54(45)62-55)41-29-32-50-57(36-41)63-56-27-11-8-23-49(56)59(50)48-22-7-4-18-42(48)46-21-12-14-37-15-13-24-51(59)58(37)46/h1-36H
InChIKeyUGIJEULXYUSMSE-UHFFFAOYSA-N
MW804.95 g/mol
LogP15.77
Rot. Bonds4

About 9-dibenzofuran-2-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 (PubChem CID 164793881) has the molecular formula C59H36N2O2 and a molecular weight of 804.95 g/mol. Its IUPAC name is 9-dibenzofuran-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine.

Molecular Properties

Compound Name9-dibenzofuran-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine
PubChem CID164793881
Molecular FormulaC59H36N2O2
Molecular Weight804.95 g/mol
Exact Mass804.28
IUPAC Name9-dibenzofuran-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine
SMILESc1ccc(N(c2ccc3c(c2)Oc2ccccc2C32c3ccccc3-c3cccc4cccc2c34)c2ccc3c4ccccc4n(-c4ccc5oc6ccccc6c5c4)c3c2)cc1
InChIInChI=1S/C59H36N2O2/c1-2-16-38(17-3-1)60(40-28-31-44-43-19-5-9-25-52(43)61(53(44)35-40)39-30-33-55-47(34-39)45-20-6-10-26-54(45)62-55)41-29-32-50-57(36-41)63-56-27-11-8-23-49(56)59(50)48-22-7-4-18-42(48)46-21-12-14-37-15-13-24-51(59)58(37)46/h1-36H
InChIKeyUGIJEULXYUSMSE-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-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-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,9-dinaphthalen-2-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine
CID 164794089
9-dibenzothiophen-3-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine
CID 164794838
9-dibenzofuran-3-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-2-amine
CID 164794803
N-dibenzofuran-2-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine
CID 164794710
9-dibenzothiophen-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-2-amine
CID 164793908
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-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-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine
CID 164794801
9-dibenzofuran-1-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;9-dibenzofuran-2-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;N-dibenzothiophen-1-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;N-dibenzothiophen-2-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;N-dibenzothiophen-3-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine
CID 164966921

Frequently Asked Questions

What is the IUPAC name of 9-dibenzofuran-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine?
The IUPAC name of 9-dibenzofuran-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine (CID 164793881) is 9-dibenzofuran-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine.
What is the SMILES notation for 9-dibenzofuran-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine?
The canonical SMILES for 9-dibenzofuran-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine is c1ccc(N(c2ccc3c(c2)Oc2ccccc2C32c3ccccc3-c3cccc4cccc2c34)c2ccc3c4ccccc4n(-c4ccc5oc6ccccc6c5c4)c3c2)cc1.
What is the InChIKey of 9-dibenzofuran-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine?
The InChIKey is UGIJEULXYUSMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H36N2O2/c1-2-16-38(17-3-1)60(40-28-31-44-43-19-5-9-25-52(43)61(53(44)35-40)39-30-33-55-47(34-39)45-20-6-10-26-54(45)62-55)41-29-32-50-57(36-41)63-56-27-11-8-23-49(56)59(50)48-22-7-4-18-42(48)46-21-12-14-37-15-13-24-51(59)58(37)46/h1-36H.
What are the key properties of 9-dibenzofuran-2-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 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-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine is sourced from PubChem (CID 164793881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).