8-dibenzofuran-4-yl-4-[4-[3-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine

C70H42N4O2 — CID 135163814

IUPAC8-dibenzofuran-4-yl-4-[4-[3-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6ccc(-c7cccc(-c8ccc(-c9ncnc%10c9oc9ccc(-c%11cccc%12c%11oc%11ccccc%11%12)cc9%10)cc8)c7)cc6)c5c4)ccc32)cc1
InChIInChI=1S/C70H42N4O2/c1-2-14-51(15-3-1)73-62-22-8-5-17-55(62)59-39-48(31-36-63(59)73)49-30-35-56-54-16-4-7-21-61(54)74(64(56)41-49)52-33-28-44(29-34-52)47-13-10-12-46(38-47)43-24-26-45(27-25-43)67-70-68(72-42-71-67)60-40-50(32-37-66(60)76-70)53-19-11-20-58-57-18-6-9-23-65(57)75-69(53)58/h1-42H
InChIKeyQKNYAIYJHDRIKQ-UHFFFAOYSA-N
MW971.13 g/mol
LogP18.80
Rot. Bonds7

About 8-dibenzofuran-4-yl-4-[4-[3-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine

8-dibenzofuran-4-yl-4-[4-[3-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 135163814) has the molecular formula C70H42N4O2 and a molecular weight of 971.13 g/mol. Its IUPAC name is 8-dibenzofuran-4-yl-4-[4-[3-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name8-dibenzofuran-4-yl-4-[4-[3-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
PubChem CID135163814
Molecular FormulaC70H42N4O2
Molecular Weight971.13 g/mol
Exact Mass970.33
IUPAC Name8-dibenzofuran-4-yl-4-[4-[3-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6ccc(-c7cccc(-c8ccc(-c9ncnc%10c9oc9ccc(-c%11cccc%12c%11oc%11ccccc%11%12)cc9%10)cc8)c7)cc6)c5c4)ccc32)cc1
InChIInChI=1S/C70H42N4O2/c1-2-14-51(15-3-1)73-62-22-8-5-17-55(62)59-39-48(31-36-63(59)73)49-30-35-56-54-16-4-7-21-61(54)74(64(56)41-49)52-33-28-44(29-34-52)47-13-10-12-46(38-47)43-24-26-45(27-25-43)67-70-68(72-42-71-67)60-40-50(32-37-66(60)76-70)53-19-11-20-58-57-18-6-9-23-65(57)75-69(53)58/h1-42H
InChIKeyQKNYAIYJHDRIKQ-UHFFFAOYSA-N
XLogP18.80
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500971.13
LogP ≤ 518.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-dibenzofuran-4-yl-4-[4-[3-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine with MolForge

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Related Compounds

4-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-1-yl]-8-[3-(3-phenylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 168826475
8-carbazol-9-yl-4-[3-[5-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-1-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 135163806
4-[4-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 126550768
4-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-1-yl]-7-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 168826473
4-[3-(3-carbazol-9-ylphenyl)phenyl]-8-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 156578602
4-[3-(3-carbazol-9-ylphenyl)phenyl]-8-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 162485295
11-(4-dibenzofuran-4-ylphenyl)-3,5-diphenylindolo[3,2-b]carbazole
CID 126580169
3-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 121262432
4-methyl-[1]benzofuro[3,2-d]pyrimidine;4-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 145257771
4-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 168826414
2-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-9-phenylcarbazole
CID 122492294
2-[9-[3-(3-dibenzofuran-4-ylphenyl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 166509994

Frequently Asked Questions

What is the IUPAC name of 8-dibenzofuran-4-yl-4-[4-[3-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 8-dibenzofuran-4-yl-4-[4-[3-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine (CID 135163814) is 8-dibenzofuran-4-yl-4-[4-[3-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 8-dibenzofuran-4-yl-4-[4-[3-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 8-dibenzofuran-4-yl-4-[4-[3-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6ccc(-c7cccc(-c8ccc(-c9ncnc%10c9oc9ccc(-c%11cccc%12c%11oc%11ccccc%11%12)cc9%10)cc8)c7)cc6)c5c4)ccc32)cc1.
What is the InChIKey of 8-dibenzofuran-4-yl-4-[4-[3-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is QKNYAIYJHDRIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H42N4O2/c1-2-14-51(15-3-1)73-62-22-8-5-17-55(62)59-39-48(31-36-63(59)73)49-30-35-56-54-16-4-7-21-61(54)74(64(56)41-49)52-33-28-44(29-34-52)47-13-10-12-46(38-47)43-24-26-45(27-25-43)67-70-68(72-42-71-67)60-40-50(32-37-66(60)76-70)53-19-11-20-58-57-18-6-9-23-65(57)75-69(53)58/h1-42H.
What are the key properties of 8-dibenzofuran-4-yl-4-[4-[3-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine?
8-dibenzofuran-4-yl-4-[4-[3-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 971.13 g/mol, XLogP of 18.80, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-dibenzofuran-4-yl-4-[4-[3-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 135163814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).