3-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-9-phenylcarbazole

C48H31NO — CID 121262432

IUPAC3-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5cccc(-c6ccc(-c7cccc8c7oc7ccccc78)cc6)c5)c4)ccc32)cc1
InChIInChI=1S/C48H31NO/c1-2-15-39(16-3-1)49-45-21-6-4-17-41(45)44-31-38(27-28-46(44)49)37-14-9-13-36(30-37)35-12-8-11-34(29-35)32-23-25-33(26-24-32)40-19-10-20-43-42-18-5-7-22-47(42)50-48(40)43/h1-31H
InChIKeyZGSRTRVSRWCZDC-UHFFFAOYSA-N
MW637.78 g/mol
LogP13.35
Rot. Bonds5

About 3-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-9-phenylcarbazole

3-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-9-phenylcarbazole (PubChem CID 121262432) has the molecular formula C48H31NO and a molecular weight of 637.78 g/mol. Its IUPAC name is 3-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
PubChem CID121262432
Molecular FormulaC48H31NO
Molecular Weight637.78 g/mol
Exact Mass637.24
IUPAC Name3-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5cccc(-c6ccc(-c7cccc8c7oc7ccccc78)cc6)c5)c4)ccc32)cc1
InChIInChI=1S/C48H31NO/c1-2-15-39(16-3-1)49-45-21-6-4-17-41(45)44-31-38(27-28-46(44)49)37-14-9-13-36(30-37)35-12-8-11-34(29-35)32-23-25-33(26-24-32)40-19-10-20-43-42-18-5-7-22-47(42)50-48(40)43/h1-31H
InChIKeyZGSRTRVSRWCZDC-UHFFFAOYSA-N
XLogP13.35
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.78
LogP ≤ 513.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 134313296
9-phenyl-3-[3-(6-phenyldibenzofuran-2-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492344
3-dibenzofuran-4-yl-9-(3-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 121449361
4-(4-bromophenyl)dibenzofuran;3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 158714965
3-[8-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 137474197
3-(3-dibenzofuran-2-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)carbazole
CID 137466609
2-dibenzofuran-4-yl-5,7-diphenylindolo[2,3-b]carbazole;5-(4-dibenzofuran-4-ylphenyl)-7-phenylindolo[2,3-b]carbazole;5,7-diphenyl-2-(9-phenylcarbazol-3-yl)indolo[2,3-b]carbazole
CID 160885475
11-(4-dibenzofuran-4-ylphenyl)-3,5-diphenylindolo[3,2-b]carbazole
CID 126580169
N-[4-[4-[4-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 121443631
9-phenyl-3-[3-(6-phenyldibenzofuran-4-yl)-5-(3-phenylphenyl)phenyl]carbazole;9-phenyl-3-[3-(6-phenyldibenzofuran-4-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 159217991
N-[4-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90207163
9-(4-carbazol-9-ylphenyl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4-dibenzofuran-4-ylphenyl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9,14-diphenyl-5-(9-phenylcarbazol-3-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 159165938

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-9-phenylcarbazole?
The IUPAC name of 3-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-9-phenylcarbazole (CID 121262432) is 3-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-9-phenylcarbazole.
What is the SMILES notation for 3-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-9-phenylcarbazole?
The canonical SMILES for 3-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5cccc(-c6ccc(-c7cccc8c7oc7ccccc78)cc6)c5)c4)ccc32)cc1.
What is the InChIKey of 3-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-9-phenylcarbazole?
The InChIKey is ZGSRTRVSRWCZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31NO/c1-2-15-39(16-3-1)49-45-21-6-4-17-41(45)44-31-38(27-28-46(44)49)37-14-9-13-36(30-37)35-12-8-11-34(29-35)32-23-25-33(26-24-32)40-19-10-20-43-42-18-5-7-22-47(42)50-48(40)43/h1-31H.
What are the key properties of 3-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-9-phenylcarbazole?
3-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-9-phenylcarbazole has a molecular weight of 637.78 g/mol, XLogP of 13.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-9-phenylcarbazole is sourced from PubChem (CID 121262432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).