3-(6-carbazol-9-yldibenzofuran-2-yl)-9-dibenzofuran-4-ylcarbazole

C48H28N2O2 — CID 58058989

IUPAC3-(6-carbazol-9-yldibenzofuran-2-yl)-9-dibenzofuran-4-ylcarbazole
SMILESc1ccc2c(c1)oc1c(-n3c4ccccc4c4cc(-c5ccc6oc7c(-n8c9ccccc9c9ccccc98)cccc7c6c5)ccc43)cccc12
InChIInChI=1S/C48H28N2O2/c1-5-17-39-31(11-1)32-12-2-6-18-40(32)49(39)44-21-10-16-36-38-28-30(24-26-46(38)52-48(36)44)29-23-25-42-37(27-29)33-13-3-7-19-41(33)50(42)43-20-9-15-35-34-14-4-8-22-45(34)51-47(35)43/h1-28H
InChIKeySHDBEQFGOLJVCR-UHFFFAOYSA-N
MW664.76 g/mol
LogP13.35
Rot. Bonds3

About 3-(6-carbazol-9-yldibenzofuran-2-yl)-9-dibenzofuran-4-ylcarbazole

3-(6-carbazol-9-yldibenzofuran-2-yl)-9-dibenzofuran-4-ylcarbazole (PubChem CID 58058989) has the molecular formula C48H28N2O2 and a molecular weight of 664.76 g/mol. Its IUPAC name is 3-(6-carbazol-9-yldibenzofuran-2-yl)-9-dibenzofuran-4-ylcarbazole.

Molecular Properties

Compound Name3-(6-carbazol-9-yldibenzofuran-2-yl)-9-dibenzofuran-4-ylcarbazole
PubChem CID58058989
Molecular FormulaC48H28N2O2
Molecular Weight664.76 g/mol
Exact Mass664.22
IUPAC Name3-(6-carbazol-9-yldibenzofuran-2-yl)-9-dibenzofuran-4-ylcarbazole
SMILESc1ccc2c(c1)oc1c(-n3c4ccccc4c4cc(-c5ccc6oc7c(-n8c9ccccc9c9ccccc98)cccc7c6c5)ccc43)cccc12
InChIInChI=1S/C48H28N2O2/c1-5-17-39-31(11-1)32-12-2-6-18-40(32)49(39)44-21-10-16-36-38-28-30(24-26-46(38)52-48(36)44)29-23-25-42-37(27-29)33-13-3-7-19-41(33)50(42)43-20-9-15-35-34-14-4-8-22-45(34)51-47(35)43/h1-28H
InChIKeySHDBEQFGOLJVCR-UHFFFAOYSA-N
XLogP13.35
TPSA36.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.76
LogP ≤ 513.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-dibenzofuran-2-yl-9-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)carbazole
CID 146647920
9-(8-dibenzofuran-3-yldibenzofuran-4-yl)-3-phenylcarbazole
CID 147201109
3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-(8-phenyldibenzofuran-2-yl)carbazole
CID 123500568
9-dibenzofuran-2-yl-3-[3-(3-phenylphenyl)phenyl]carbazole;3,6-diphenyl-9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-4-yl]carbazole;3-[3-(3-phenylphenyl)phenyl]-9-[8-[3-[3-(3-phenylphenyl)phenyl]carbazol-9-yl]dibenzofuran-2-yl]carbazole
CID 158273380
3-dibenzofuran-2-yl-9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole
CID 146335728
3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-pyridin-2-ylcarbazole
CID 166905618
9-(9-dibenzofuran-2-yldibenzofuran-4-yl)-3-phenylcarbazole
CID 153223652
N-[4-[4-(9-dibenzofuran-4-ylcarbazol-3-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 90207100
6-(9-dibenzofuran-4-ylcarbazol-3-yl)-2,9-diphenylcarbazole
CID 170072505
3-carbazol-9-yl-9-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-(9-dibenzofuran-3-ylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-(9-dibenzofuran-4-ylcarbazol-3-yl)carbazole
CID 161172742
3-[9-dibenzofuran-4-yl-6-[3-[8-[3-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]dibenzofuran-4-yl]phenyl]carbazol-3-yl]-6,9-diphenylcarbazole
CID 137420572
8-[6-(8-dibenzofuran-2-ylpyrido[4,3-b]indol-5-yl)dibenzofuran-4-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 58099526

Frequently Asked Questions

What is the IUPAC name of 3-(6-carbazol-9-yldibenzofuran-2-yl)-9-dibenzofuran-4-ylcarbazole?
The IUPAC name of 3-(6-carbazol-9-yldibenzofuran-2-yl)-9-dibenzofuran-4-ylcarbazole (CID 58058989) is 3-(6-carbazol-9-yldibenzofuran-2-yl)-9-dibenzofuran-4-ylcarbazole.
What is the SMILES notation for 3-(6-carbazol-9-yldibenzofuran-2-yl)-9-dibenzofuran-4-ylcarbazole?
The canonical SMILES for 3-(6-carbazol-9-yldibenzofuran-2-yl)-9-dibenzofuran-4-ylcarbazole is c1ccc2c(c1)oc1c(-n3c4ccccc4c4cc(-c5ccc6oc7c(-n8c9ccccc9c9ccccc98)cccc7c6c5)ccc43)cccc12.
What is the InChIKey of 3-(6-carbazol-9-yldibenzofuran-2-yl)-9-dibenzofuran-4-ylcarbazole?
The InChIKey is SHDBEQFGOLJVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N2O2/c1-5-17-39-31(11-1)32-12-2-6-18-40(32)49(39)44-21-10-16-36-38-28-30(24-26-46(38)52-48(36)44)29-23-25-42-37(27-29)33-13-3-7-19-41(33)50(42)43-20-9-15-35-34-14-4-8-22-45(34)51-47(35)43/h1-28H.
What are the key properties of 3-(6-carbazol-9-yldibenzofuran-2-yl)-9-dibenzofuran-4-ylcarbazole?
3-(6-carbazol-9-yldibenzofuran-2-yl)-9-dibenzofuran-4-ylcarbazole has a molecular weight of 664.76 g/mol, XLogP of 13.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-carbazol-9-yldibenzofuran-2-yl)-9-dibenzofuran-4-ylcarbazole is sourced from PubChem (CID 58058989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).