9-[3-dibenzofuran-4-yl-5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]carbazole

C37H31NO3 — CID 135258851

IUPAC9-[3-dibenzofuran-4-yl-5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]carbazole
SMILESCC1(C)OC(c2cc(-c3cccc4c3oc3ccccc34)cc(-n3c4ccccc4c4ccccc43)c2)OC1(C)C
InChIInChI=1S/C37H31NO3/c1-36(2)37(3,4)41-35(40-36)24-20-23(26-15-11-16-30-29-14-7-10-19-33(29)39-34(26)30)21-25(22-24)38-31-17-8-5-12-27(31)28-13-6-9-18-32(28)38/h5-22,35H,1-4H3
InChIKeyTYPTXXYLSCWEFV-UHFFFAOYSA-N
MW537.66 g/mol
LogP9.95
Rot. Bonds3

About 9-[3-dibenzofuran-4-yl-5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]carbazole

9-[3-dibenzofuran-4-yl-5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]carbazole (PubChem CID 135258851) has the molecular formula C37H31NO3 and a molecular weight of 537.66 g/mol. Its IUPAC name is 9-[3-dibenzofuran-4-yl-5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-[3-dibenzofuran-4-yl-5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]carbazole
PubChem CID135258851
Molecular FormulaC37H31NO3
Molecular Weight537.66 g/mol
Exact Mass537.23
IUPAC Name9-[3-dibenzofuran-4-yl-5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]carbazole
SMILESCC1(C)OC(c2cc(-c3cccc4c3oc3ccccc34)cc(-n3c4ccccc4c4ccccc43)c2)OC1(C)C
InChIInChI=1S/C37H31NO3/c1-36(2)37(3,4)41-35(40-36)24-20-23(26-15-11-16-30-29-14-7-10-19-33(29)39-34(26)30)21-25(22-24)38-31-17-8-5-12-27(31)28-13-6-9-18-32(28)38/h5-22,35H,1-4H3
InChIKeyTYPTXXYLSCWEFV-UHFFFAOYSA-N
XLogP9.95
TPSA36.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.66
LogP ≤ 59.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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3-dibenzofuran-4-yl-9-(3,5-dinaphthalen-1-ylphenyl)carbazole
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9-[3-dibenzofuran-4-yl-5-(10,10-dimethyl-14-pentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16,18,20-nonaenyl)phenyl]carbazole
CID 126592464
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9-[3-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-dibenzofuran-4-ylcarbazole
CID 58099745
3-dibenzofuran-4-yl-9-(3,5-dinaphthalen-2-ylphenyl)carbazole
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9-(4-dibenzofuran-4-ylphenyl)-3-methylcarbazole
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Frequently Asked Questions

What is the IUPAC name of 9-[3-dibenzofuran-4-yl-5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]carbazole?
The IUPAC name of 9-[3-dibenzofuran-4-yl-5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]carbazole (CID 135258851) is 9-[3-dibenzofuran-4-yl-5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]carbazole.
What is the SMILES notation for 9-[3-dibenzofuran-4-yl-5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]carbazole?
The canonical SMILES for 9-[3-dibenzofuran-4-yl-5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]carbazole is CC1(C)OC(c2cc(-c3cccc4c3oc3ccccc34)cc(-n3c4ccccc4c4ccccc43)c2)OC1(C)C.
What is the InChIKey of 9-[3-dibenzofuran-4-yl-5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]carbazole?
The InChIKey is TYPTXXYLSCWEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H31NO3/c1-36(2)37(3,4)41-35(40-36)24-20-23(26-15-11-16-30-29-14-7-10-19-33(29)39-34(26)30)21-25(22-24)38-31-17-8-5-12-27(31)28-13-6-9-18-32(28)38/h5-22,35H,1-4H3.
What are the key properties of 9-[3-dibenzofuran-4-yl-5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]carbazole?
9-[3-dibenzofuran-4-yl-5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]carbazole has a molecular weight of 537.66 g/mol, XLogP of 9.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-dibenzofuran-4-yl-5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]carbazole is sourced from PubChem (CID 135258851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).