3-[9-(9a-methyl-5aH-dibenzofuran-3-yl)carbazol-3-yl]-9-dibenzofuran-2-ylcarbazole

C49H32N2O2 — CID 166699821

IUPAC3-[9-(9a-methyl-5aH-dibenzofuran-3-yl)carbazol-3-yl]-9-dibenzofuran-2-ylcarbazole
SMILESCC12C=CC=CC1Oc1cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6oc7ccccc7c6c5)ccc43)ccc12
InChIInChI=1S/C49H32N2O2/c1-49-25-9-8-16-48(49)53-47-29-33(19-21-40(47)49)51-42-14-6-3-11-35(42)38-27-31(18-23-44(38)51)30-17-22-43-37(26-30)34-10-2-5-13-41(34)50(43)32-20-24-46-39(28-32)36-12-4-7-15-45(36)52-46/h2-29,48H,1H3
InChIKeyIHGGLFXLUZOQDJ-UHFFFAOYSA-N
MW680.81 g/mol
LogP12.59
Rot. Bonds3

About 3-[9-(9a-methyl-5aH-dibenzofuran-3-yl)carbazol-3-yl]-9-dibenzofuran-2-ylcarbazole

3-[9-(9a-methyl-5aH-dibenzofuran-3-yl)carbazol-3-yl]-9-dibenzofuran-2-ylcarbazole (PubChem CID 166699821) has the molecular formula C49H32N2O2 and a molecular weight of 680.81 g/mol. Its IUPAC name is 3-[9-(9a-methyl-5aH-dibenzofuran-3-yl)carbazol-3-yl]-9-dibenzofuran-2-ylcarbazole.

Molecular Properties

Compound Name3-[9-(9a-methyl-5aH-dibenzofuran-3-yl)carbazol-3-yl]-9-dibenzofuran-2-ylcarbazole
PubChem CID166699821
Molecular FormulaC49H32N2O2
Molecular Weight680.81 g/mol
Exact Mass680.25
IUPAC Name3-[9-(9a-methyl-5aH-dibenzofuran-3-yl)carbazol-3-yl]-9-dibenzofuran-2-ylcarbazole
SMILESCC12C=CC=CC1Oc1cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6oc7ccccc7c6c5)ccc43)ccc12
InChIInChI=1S/C49H32N2O2/c1-49-25-9-8-16-48(49)53-47-29-33(19-21-40(47)49)51-42-14-6-3-11-35(42)38-27-31(18-23-44(38)51)30-17-22-43-37(26-30)34-10-2-5-13-41(34)50(43)32-20-24-46-39(28-32)36-12-4-7-15-45(36)52-46/h2-29,48H,1H3
InChIKeyIHGGLFXLUZOQDJ-UHFFFAOYSA-N
XLogP12.59
TPSA32.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.81
LogP ≤ 512.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594554
9-dibenzofuran-2-yl-3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole
CID 123818422
3-dibenzofuran-2-yl-9-dibenzofuran-3-ylcarbazole
CID 118504725
9-[8-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole
CID 59348295
9-dibenzofuran-2-yl-3-[3-[8-(3-phenylcarbazol-9-yl)dibenzofuran-2-yl]phenyl]carbazole
CID 123613126
3,9-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158173584
3-(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole
CID 59348276
3-[3-(3-dibenzofuran-2-ylphenyl)carbazol-9-yl]-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 123419299
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-6-phenyl-9-(3-phenylphenyl)carbazole
CID 170072680
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 90350922
2,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594589
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(3,5-diphenylphenyl)carbazole
CID 71100014

Frequently Asked Questions

What is the IUPAC name of 3-[9-(9a-methyl-5aH-dibenzofuran-3-yl)carbazol-3-yl]-9-dibenzofuran-2-ylcarbazole?
The IUPAC name of 3-[9-(9a-methyl-5aH-dibenzofuran-3-yl)carbazol-3-yl]-9-dibenzofuran-2-ylcarbazole (CID 166699821) is 3-[9-(9a-methyl-5aH-dibenzofuran-3-yl)carbazol-3-yl]-9-dibenzofuran-2-ylcarbazole.
What is the SMILES notation for 3-[9-(9a-methyl-5aH-dibenzofuran-3-yl)carbazol-3-yl]-9-dibenzofuran-2-ylcarbazole?
The canonical SMILES for 3-[9-(9a-methyl-5aH-dibenzofuran-3-yl)carbazol-3-yl]-9-dibenzofuran-2-ylcarbazole is CC12C=CC=CC1Oc1cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6oc7ccccc7c6c5)ccc43)ccc12.
What is the InChIKey of 3-[9-(9a-methyl-5aH-dibenzofuran-3-yl)carbazol-3-yl]-9-dibenzofuran-2-ylcarbazole?
The InChIKey is IHGGLFXLUZOQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N2O2/c1-49-25-9-8-16-48(49)53-47-29-33(19-21-40(47)49)51-42-14-6-3-11-35(42)38-27-31(18-23-44(38)51)30-17-22-43-37(26-30)34-10-2-5-13-41(34)50(43)32-20-24-46-39(28-32)36-12-4-7-15-45(36)52-46/h2-29,48H,1H3.
What are the key properties of 3-[9-(9a-methyl-5aH-dibenzofuran-3-yl)carbazol-3-yl]-9-dibenzofuran-2-ylcarbazole?
3-[9-(9a-methyl-5aH-dibenzofuran-3-yl)carbazol-3-yl]-9-dibenzofuran-2-ylcarbazole has a molecular weight of 680.81 g/mol, XLogP of 12.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(9a-methyl-5aH-dibenzofuran-3-yl)carbazol-3-yl]-9-dibenzofuran-2-ylcarbazole is sourced from PubChem (CID 166699821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).