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

C59H36N2O2 — CID 164794806

IUPACN-dibenzofuran-2-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-2-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(N(c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5cccc6cccc4c56)c4ccc5oc6ccccc6c5c4)cc32)cc1
InChIInChI=1S/C59H36N2O2/c1-2-16-38(17-3-1)61-52-25-9-5-19-43(52)44-31-28-41(36-53(44)61)60(39-29-32-55-47(34-39)45-20-6-10-26-54(45)62-55)40-30-33-57-51(35-40)59(49-23-8-11-27-56(49)63-57)48-22-7-4-18-42(48)46-21-12-14-37-15-13-24-50(59)58(37)46/h1-36H
InChIKeyZRYFFIBNMQKVKJ-UHFFFAOYSA-N
MW804.95 g/mol
LogP15.77
Rot. Bonds4

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

N-dibenzofuran-2-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-2-amine (PubChem CID 164794806) has the molecular formula C59H36N2O2 and a molecular weight of 804.95 g/mol. Its IUPAC name is N-dibenzofuran-2-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-2-amine.

Molecular Properties

Compound NameN-dibenzofuran-2-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-2-amine
PubChem CID164794806
Molecular FormulaC59H36N2O2
Molecular Weight804.95 g/mol
Exact Mass804.28
IUPAC NameN-dibenzofuran-2-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-2-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(N(c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5cccc6cccc4c56)c4ccc5oc6ccccc6c5c4)cc32)cc1
InChIInChI=1S/C59H36N2O2/c1-2-16-38(17-3-1)61-52-25-9-5-19-43(52)44-31-28-41(36-53(44)61)60(39-29-32-55-47(34-39)45-20-6-10-26-54(45)62-55)40-30-33-57-51(35-40)59(49-23-8-11-27-56(49)63-57)48-22-7-4-18-42(48)46-21-12-14-37-15-13-24-50(59)58(37)46/h1-36H
InChIKeyZRYFFIBNMQKVKJ-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-dibenzofuran-2-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine
CID 164794710
N-dibenzofuran-3-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-9-ylcarbazol-2-amine
CID 164732009
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-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-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-3-yl-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine
CID 164794801
N-dibenzofuran-3-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine
CID 164794269
N-dibenzofuran-2-yl-N-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)-9-phenylcarbazol-2-amine
CID 121357340
N-dibenzofuran-2-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-3-amine;N-dibenzofuran-3-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-3-amine
CID 165097642
9-dibenzofuran-1-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-2-amine;N-dibenzothiophen-1-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-2-amine;N-dibenzothiophen-2-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-2-amine;N-dibenzothiophen-3-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-2-amine
CID 165005039
N-dibenzofuran-3-yl-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine;N-dibenzothiophen-3-yl-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9-naphthalen-1-yl-9-phenylxanthen-2-yl)-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine
CID 165105589
N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine
CID 164794173

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-2-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-2-amine?
The IUPAC name of N-dibenzofuran-2-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-2-amine (CID 164794806) is N-dibenzofuran-2-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-2-amine.
What is the SMILES notation for N-dibenzofuran-2-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-2-amine?
The canonical SMILES for N-dibenzofuran-2-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-2-amine is c1ccc(-n2c3ccccc3c3ccc(N(c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5cccc6cccc4c56)c4ccc5oc6ccccc6c5c4)cc32)cc1.
What is the InChIKey of N-dibenzofuran-2-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-2-amine?
The InChIKey is ZRYFFIBNMQKVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H36N2O2/c1-2-16-38(17-3-1)61-52-25-9-5-19-43(52)44-31-28-41(36-53(44)61)60(39-29-32-55-47(34-39)45-20-6-10-26-54(45)62-55)40-30-33-57-51(35-40)59(49-23-8-11-27-56(49)63-57)48-22-7-4-18-42(48)46-21-12-14-37-15-13-24-50(59)58(37)46/h1-36H.
What are the key properties of N-dibenzofuran-2-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-2-amine?
N-dibenzofuran-2-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-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 N-dibenzofuran-2-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-2-amine is sourced from PubChem (CID 164794806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).