5-[1-(4-phenyldibenzofuran-2-yl)dibenzofuran-3-yl]benzo[b]carbazole

C46H27NO2 — CID 170253538

IUPAC5-[1-(4-phenyldibenzofuran-2-yl)dibenzofuran-3-yl]benzo[b]carbazole
SMILESc1ccc(-c2cc(-c3cc(-n4c5ccccc5c5cc6ccccc6cc54)cc4oc5ccccc5c34)cc3c2oc2ccccc23)cc1
InChIInChI=1S/C46H27NO2/c1-2-12-28(13-3-1)37-23-31(24-39-34-17-7-10-20-42(34)49-46(37)39)36-26-32(27-44-45(36)35-18-8-11-21-43(35)48-44)47-40-19-9-6-16-33(40)38-22-29-14-4-5-15-30(29)25-41(38)47/h1-27H
InChIKeyJOSUKOIWMULJLI-UHFFFAOYSA-N
MW625.73 g/mol
LogP13.07
Rot. Bonds3

About 5-[1-(4-phenyldibenzofuran-2-yl)dibenzofuran-3-yl]benzo[b]carbazole

5-[1-(4-phenyldibenzofuran-2-yl)dibenzofuran-3-yl]benzo[b]carbazole (PubChem CID 170253538) has the molecular formula C46H27NO2 and a molecular weight of 625.73 g/mol. Its IUPAC name is 5-[1-(4-phenyldibenzofuran-2-yl)dibenzofuran-3-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[1-(4-phenyldibenzofuran-2-yl)dibenzofuran-3-yl]benzo[b]carbazole
PubChem CID170253538
Molecular FormulaC46H27NO2
Molecular Weight625.73 g/mol
Exact Mass625.20
IUPAC Name5-[1-(4-phenyldibenzofuran-2-yl)dibenzofuran-3-yl]benzo[b]carbazole
SMILESc1ccc(-c2cc(-c3cc(-n4c5ccccc5c5cc6ccccc6cc54)cc4oc5ccccc5c34)cc3c2oc2ccccc23)cc1
InChIInChI=1S/C46H27NO2/c1-2-12-28(13-3-1)37-23-31(24-39-34-17-7-10-20-42(34)49-46(37)39)36-26-32(27-44-45(36)35-18-8-11-21-43(35)48-44)47-40-19-9-6-16-33(40)38-22-29-14-4-5-15-30(29)25-41(38)47/h1-27H
InChIKeyJOSUKOIWMULJLI-UHFFFAOYSA-N
XLogP13.07
TPSA31.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.73
LogP ≤ 513.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-benzo[b]carbazol-5-yldibenzofuran-4-yl)phenyl]-N,4-diphenylaniline
CID 156558653
5-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 163705036
5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-3-yl]benzo[b]carbazole
CID 166495763
5-[1-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 164715042
5-[1-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole
CID 164714928
12-[4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 167347572
5-[1-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 163915985
5-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 155043554
5-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 166699412
3-(9-phenylcarbazol-3-yl)-9-[1-(4-triphenylen-2-ylphenyl)dibenzofuran-3-yl]carbazole
CID 163907956
9-[7-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenyldibenzofuran-2-yl]carbazole
CID 166495859
5-[4-(4-dibenzofuran-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 167043577

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-phenyldibenzofuran-2-yl)dibenzofuran-3-yl]benzo[b]carbazole?
The IUPAC name of 5-[1-(4-phenyldibenzofuran-2-yl)dibenzofuran-3-yl]benzo[b]carbazole (CID 170253538) is 5-[1-(4-phenyldibenzofuran-2-yl)dibenzofuran-3-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[1-(4-phenyldibenzofuran-2-yl)dibenzofuran-3-yl]benzo[b]carbazole?
The canonical SMILES for 5-[1-(4-phenyldibenzofuran-2-yl)dibenzofuran-3-yl]benzo[b]carbazole is c1ccc(-c2cc(-c3cc(-n4c5ccccc5c5cc6ccccc6cc54)cc4oc5ccccc5c34)cc3c2oc2ccccc23)cc1.
What is the InChIKey of 5-[1-(4-phenyldibenzofuran-2-yl)dibenzofuran-3-yl]benzo[b]carbazole?
The InChIKey is JOSUKOIWMULJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H27NO2/c1-2-12-28(13-3-1)37-23-31(24-39-34-17-7-10-20-42(34)49-46(37)39)36-26-32(27-44-45(36)35-18-8-11-21-43(35)48-44)47-40-19-9-6-16-33(40)38-22-29-14-4-5-15-30(29)25-41(38)47/h1-27H.
What are the key properties of 5-[1-(4-phenyldibenzofuran-2-yl)dibenzofuran-3-yl]benzo[b]carbazole?
5-[1-(4-phenyldibenzofuran-2-yl)dibenzofuran-3-yl]benzo[b]carbazole has a molecular weight of 625.73 g/mol, XLogP of 13.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-phenyldibenzofuran-2-yl)dibenzofuran-3-yl]benzo[b]carbazole is sourced from PubChem (CID 170253538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).