3-anthracen-9-yl-9-dibenzofuran-1-ylcarbazole

C38H23NO — CID 118504741

IUPAC3-anthracen-9-yl-9-dibenzofuran-1-ylcarbazole
SMILESc1ccc2c(-c3ccc4c(c3)c3ccccc3n4-c3cccc4oc5ccccc5c34)c3ccccc3cc2c1
InChIInChI=1S/C38H23NO/c1-3-12-27-24(10-1)22-25-11-2-4-13-28(25)37(27)26-20-21-33-31(23-26)29-14-5-7-16-32(29)39(33)34-17-9-19-36-38(34)30-15-6-8-18-35(30)40-36/h1-23H
InChIKeyMSIYGSNMTZNVDN-UHFFFAOYSA-N
MW509.61 g/mol
LogP10.66
Rot. Bonds2

About 3-anthracen-9-yl-9-dibenzofuran-1-ylcarbazole

3-anthracen-9-yl-9-dibenzofuran-1-ylcarbazole (PubChem CID 118504741) has the molecular formula C38H23NO and a molecular weight of 509.61 g/mol. Its IUPAC name is 3-anthracen-9-yl-9-dibenzofuran-1-ylcarbazole.

Molecular Properties

Compound Name3-anthracen-9-yl-9-dibenzofuran-1-ylcarbazole
PubChem CID118504741
Molecular FormulaC38H23NO
Molecular Weight509.61 g/mol
Exact Mass509.18
IUPAC Name3-anthracen-9-yl-9-dibenzofuran-1-ylcarbazole
SMILESc1ccc2c(-c3ccc4c(c3)c3ccccc3n4-c3cccc4oc5ccccc5c34)c3ccccc3cc2c1
InChIInChI=1S/C38H23NO/c1-3-12-27-24(10-1)22-25-11-2-4-13-28(25)37(27)26-20-21-33-31(23-26)29-14-5-7-16-32(29)39(33)34-17-9-19-36-38(34)30-15-6-8-18-35(30)40-36/h1-23H
InChIKeyMSIYGSNMTZNVDN-UHFFFAOYSA-N
XLogP10.66
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.61
LogP ≤ 510.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

3-[2,6-bis(9-dibenzofuran-1-ylcarbazol-3-yl)-4-pyridinyl]-9-dibenzofuran-1-ylcarbazole
CID 90291738
2-(9-dibenzofuran-1-ylcarbazol-3-yl)-5-(4-phenylphenyl)benzo[b]carbazole
CID 167244013
2-(9-dibenzofuran-1-ylcarbazol-3-yl)-5-(2-phenylphenyl)benzo[b]carbazole
CID 167243453
9-dibenzofuran-1-yl-3-dibenzofuran-4-ylcarbazole
CID 118504742
9-(2-anthracen-9-ylphenyl)-3-dibenzofuran-4-ylcarbazole
CID 87156910
9-dibenzofuran-1-yl-3-iodocarbazole
CID 90291712
8-(9-dibenzofuran-1-ylcarbazol-3-yl)-11-naphthalen-2-ylbenzo[a]carbazole
CID 167243807
3-(9-phenylcarbazol-3-yl)-9-(8-phenyldibenzofuran-1-yl)carbazole
CID 164821289
9-(10-dibenzofuran-2-yltetracen-1-yl)carbazole;ethane
CID 145009292
9-dibenzofuran-1-yl-2-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 90310026
9-dibenzofuran-1-yl-6-phenyl-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155087247
3-(9-phenylcarbazol-3-yl)-9-(7-phenyldibenzofuran-1-yl)carbazole
CID 168850152

Frequently Asked Questions

What is the IUPAC name of 3-anthracen-9-yl-9-dibenzofuran-1-ylcarbazole?
The IUPAC name of 3-anthracen-9-yl-9-dibenzofuran-1-ylcarbazole (CID 118504741) is 3-anthracen-9-yl-9-dibenzofuran-1-ylcarbazole.
What is the SMILES notation for 3-anthracen-9-yl-9-dibenzofuran-1-ylcarbazole?
The canonical SMILES for 3-anthracen-9-yl-9-dibenzofuran-1-ylcarbazole is c1ccc2c(-c3ccc4c(c3)c3ccccc3n4-c3cccc4oc5ccccc5c34)c3ccccc3cc2c1.
What is the InChIKey of 3-anthracen-9-yl-9-dibenzofuran-1-ylcarbazole?
The InChIKey is MSIYGSNMTZNVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23NO/c1-3-12-27-24(10-1)22-25-11-2-4-13-28(25)37(27)26-20-21-33-31(23-26)29-14-5-7-16-32(29)39(33)34-17-9-19-36-38(34)30-15-6-8-18-35(30)40-36/h1-23H.
What are the key properties of 3-anthracen-9-yl-9-dibenzofuran-1-ylcarbazole?
3-anthracen-9-yl-9-dibenzofuran-1-ylcarbazole has a molecular weight of 509.61 g/mol, XLogP of 10.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anthracen-9-yl-9-dibenzofuran-1-ylcarbazole is sourced from PubChem (CID 118504741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).