9-(1,8a-dihydronaphthalen-2-yl)-2-dibenzofuran-1-yl-7-spiro[fluorene-9,9'-xanthene]-3'-ylcarbazole

C59H37NO2 — CID 163651074

IUPAC9-(1,8a-dihydronaphthalen-2-yl)-2-dibenzofuran-1-yl-7-spiro[fluorene-9,9'-xanthene]-3'-ylcarbazole
SMILESC1=CC2=CC=C(n3c4cc(-c5ccc6c(c5)Oc5ccccc5C65c6ccccc6-c6ccccc65)ccc4c4ccc(-c5cccc6oc7ccccc7c56)cc43)CC2C=C1
InChIInChI=1S/C59H37NO2/c1-2-13-37-32-41(28-24-36(37)12-1)60-52-33-38(25-29-45(52)46-30-26-40(34-53(46)60)42-17-11-23-56-58(42)47-16-5-9-21-54(47)61-56)39-27-31-51-57(35-39)62-55-22-10-8-20-50(55)59(51)48-18-6-3-14-43(48)44-15-4-7-19-49(44)59/h1-31,33-35,37H,32H2
InChIKeyIMHFPDAUFVBZQP-UHFFFAOYSA-N
MW791.95 g/mol
LogP15.41
Rot. Bonds3

About 9-(1,8a-dihydronaphthalen-2-yl)-2-dibenzofuran-1-yl-7-spiro[fluorene-9,9'-xanthene]-3'-ylcarbazole

9-(1,8a-dihydronaphthalen-2-yl)-2-dibenzofuran-1-yl-7-spiro[fluorene-9,9'-xanthene]-3'-ylcarbazole (PubChem CID 163651074) has the molecular formula C59H37NO2 and a molecular weight of 791.95 g/mol. Its IUPAC name is 9-(1,8a-dihydronaphthalen-2-yl)-2-dibenzofuran-1-yl-7-spiro[fluorene-9,9'-xanthene]-3'-ylcarbazole.

Molecular Properties

Compound Name9-(1,8a-dihydronaphthalen-2-yl)-2-dibenzofuran-1-yl-7-spiro[fluorene-9,9'-xanthene]-3'-ylcarbazole
PubChem CID163651074
Molecular FormulaC59H37NO2
Molecular Weight791.95 g/mol
Exact Mass791.28
IUPAC Name9-(1,8a-dihydronaphthalen-2-yl)-2-dibenzofuran-1-yl-7-spiro[fluorene-9,9'-xanthene]-3'-ylcarbazole
SMILESC1=CC2=CC=C(n3c4cc(-c5ccc6c(c5)Oc5ccccc5C65c6ccccc6-c6ccccc65)ccc4c4ccc(-c5cccc6oc7ccccc7c56)cc43)CC2C=C1
InChIInChI=1S/C59H37NO2/c1-2-13-37-32-41(28-24-36(37)12-1)60-52-33-38(25-29-45(52)46-30-26-40(34-53(46)60)42-17-11-23-56-58(42)47-16-5-9-21-54(47)61-56)39-27-31-51-57(35-39)62-55-22-10-8-20-50(55)59(51)48-18-6-3-14-43(48)44-15-4-7-19-49(44)59/h1-31,33-35,37H,32H2
InChIKeyIMHFPDAUFVBZQP-UHFFFAOYSA-N
XLogP15.41
TPSA27.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.95
LogP ≤ 515.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-(1,8a-dihydronaphthalen-2-yl)-2-dibenzofuran-1-yl-7-spiro[fluorene-9,9'-xanthene]-3'-ylcarbazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-(1,8a-dihydronaphthalen-2-yl)-2-dibenzofuran-1-yl-7-spiro[fluorene-9,9'-xanthene]-3'-ylcarbazole?
The IUPAC name of 9-(1,8a-dihydronaphthalen-2-yl)-2-dibenzofuran-1-yl-7-spiro[fluorene-9,9'-xanthene]-3'-ylcarbazole (CID 163651074) is 9-(1,8a-dihydronaphthalen-2-yl)-2-dibenzofuran-1-yl-7-spiro[fluorene-9,9'-xanthene]-3'-ylcarbazole.
What is the SMILES notation for 9-(1,8a-dihydronaphthalen-2-yl)-2-dibenzofuran-1-yl-7-spiro[fluorene-9,9'-xanthene]-3'-ylcarbazole?
The canonical SMILES for 9-(1,8a-dihydronaphthalen-2-yl)-2-dibenzofuran-1-yl-7-spiro[fluorene-9,9'-xanthene]-3'-ylcarbazole is C1=CC2=CC=C(n3c4cc(-c5ccc6c(c5)Oc5ccccc5C65c6ccccc6-c6ccccc65)ccc4c4ccc(-c5cccc6oc7ccccc7c56)cc43)CC2C=C1.
What is the InChIKey of 9-(1,8a-dihydronaphthalen-2-yl)-2-dibenzofuran-1-yl-7-spiro[fluorene-9,9'-xanthene]-3'-ylcarbazole?
The InChIKey is IMHFPDAUFVBZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H37NO2/c1-2-13-37-32-41(28-24-36(37)12-1)60-52-33-38(25-29-45(52)46-30-26-40(34-53(46)60)42-17-11-23-56-58(42)47-16-5-9-21-54(47)61-56)39-27-31-51-57(35-39)62-55-22-10-8-20-50(55)59(51)48-18-6-3-14-43(48)44-15-4-7-19-49(44)59/h1-31,33-35,37H,32H2.
What are the key properties of 9-(1,8a-dihydronaphthalen-2-yl)-2-dibenzofuran-1-yl-7-spiro[fluorene-9,9'-xanthene]-3'-ylcarbazole?
9-(1,8a-dihydronaphthalen-2-yl)-2-dibenzofuran-1-yl-7-spiro[fluorene-9,9'-xanthene]-3'-ylcarbazole has a molecular weight of 791.95 g/mol, XLogP of 15.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1,8a-dihydronaphthalen-2-yl)-2-dibenzofuran-1-yl-7-spiro[fluorene-9,9'-xanthene]-3'-ylcarbazole is sourced from PubChem (CID 163651074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).