9-[3-(8,8a-dihydrotriphenylen-2-yl)phenyl]-3-dibenzofuran-2-ylcarbazole

C48H31NO — CID 129260605

IUPAC9-[3-(8,8a-dihydrotriphenylen-2-yl)phenyl]-3-dibenzofuran-2-ylcarbazole
SMILESC1=CCC2C(=C1)c1ccc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7oc8ccccc8c7c6)ccc54)c3)cc1-c1ccccc12
InChIInChI=1S/C48H31NO/c1-2-14-37-35(12-1)36-13-3-4-15-38(36)42-27-31(20-23-39(37)42)30-10-9-11-34(26-30)49-45-18-7-5-16-40(45)43-28-32(21-24-46(43)49)33-22-25-48-44(29-33)41-17-6-8-19-47(41)50-48/h1-11,13-29,35H,12H2
InChIKeyVSBPSLKXXNPSEU-UHFFFAOYSA-N
MW637.78 g/mol
LogP13.12
Rot. Bonds3

About 9-[3-(8,8a-dihydrotriphenylen-2-yl)phenyl]-3-dibenzofuran-2-ylcarbazole

9-[3-(8,8a-dihydrotriphenylen-2-yl)phenyl]-3-dibenzofuran-2-ylcarbazole (PubChem CID 129260605) has the molecular formula C48H31NO and a molecular weight of 637.78 g/mol. Its IUPAC name is 9-[3-(8,8a-dihydrotriphenylen-2-yl)phenyl]-3-dibenzofuran-2-ylcarbazole.

Molecular Properties

Compound Name9-[3-(8,8a-dihydrotriphenylen-2-yl)phenyl]-3-dibenzofuran-2-ylcarbazole
PubChem CID129260605
Molecular FormulaC48H31NO
Molecular Weight637.78 g/mol
Exact Mass637.24
IUPAC Name9-[3-(8,8a-dihydrotriphenylen-2-yl)phenyl]-3-dibenzofuran-2-ylcarbazole
SMILESC1=CCC2C(=C1)c1ccc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7oc8ccccc8c7c6)ccc54)c3)cc1-c1ccccc12
InChIInChI=1S/C48H31NO/c1-2-14-37-35(12-1)36-13-3-4-15-38(36)42-27-31(20-23-39(37)42)30-10-9-11-34(26-30)49-45-18-7-5-16-40(45)43-28-32(21-24-46(43)49)33-22-25-48-44(29-33)41-17-6-8-19-47(41)50-48/h1-11,13-29,35H,12H2
InChIKeyVSBPSLKXXNPSEU-UHFFFAOYSA-N
XLogP13.12
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.78
LogP ≤ 513.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(9-dibenzofuran-2-yl-9H-fluoren-3-yl)-9-(3-dibenzofuran-2-ylphenyl)carbazole
CID 163643866
3-(3-carbazol-9-ylphenyl)-9-phenylcarbazole;9-(3-dibenzofuran-2-ylphenyl)carbazole
CID 158532240
11-[3-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9(21),10,12,14,16-octaene-2,20-dione
CID 122643757
3-dibenzofuran-2-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065119
9-[3-[3-[3-[3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 90265507
3-[9-(3-dibenzofuran-2-ylphenyl)-9H-fluoren-3-yl]-9-phenylcarbazole
CID 126753873
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 90350922
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-6-phenyl-9-(3-phenylphenyl)carbazole
CID 170072680
3-dibenzofuran-2-yl-6-[3-(6-dibenzofuran-2-yl-9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole;3-dibenzofuran-2-yl-9-phenylcarbazole;3,6-di(dibenzofuran-2-yl)-9-phenylcarbazole;3-[8-(9H-fluoren-9-yl)dibenzofuran-2-yl]-9-phenylcarbazole;9-phenyl-3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 161108968
9-dibenzofuran-2-yl-3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole
CID 123818422
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-[3-(3,5-diphenylphenyl)phenyl]-6-phenylcarbazole
CID 129265423
9-[3-(4-dibenzofuran-2-ylphenyl)phenyl]-2,6-diphenylcarbazole
CID 166927950

Frequently Asked Questions

What is the IUPAC name of 9-[3-(8,8a-dihydrotriphenylen-2-yl)phenyl]-3-dibenzofuran-2-ylcarbazole?
The IUPAC name of 9-[3-(8,8a-dihydrotriphenylen-2-yl)phenyl]-3-dibenzofuran-2-ylcarbazole (CID 129260605) is 9-[3-(8,8a-dihydrotriphenylen-2-yl)phenyl]-3-dibenzofuran-2-ylcarbazole.
What is the SMILES notation for 9-[3-(8,8a-dihydrotriphenylen-2-yl)phenyl]-3-dibenzofuran-2-ylcarbazole?
The canonical SMILES for 9-[3-(8,8a-dihydrotriphenylen-2-yl)phenyl]-3-dibenzofuran-2-ylcarbazole is C1=CCC2C(=C1)c1ccc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7oc8ccccc8c7c6)ccc54)c3)cc1-c1ccccc12.
What is the InChIKey of 9-[3-(8,8a-dihydrotriphenylen-2-yl)phenyl]-3-dibenzofuran-2-ylcarbazole?
The InChIKey is VSBPSLKXXNPSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31NO/c1-2-14-37-35(12-1)36-13-3-4-15-38(36)42-27-31(20-23-39(37)42)30-10-9-11-34(26-30)49-45-18-7-5-16-40(45)43-28-32(21-24-46(43)49)33-22-25-48-44(29-33)41-17-6-8-19-47(41)50-48/h1-11,13-29,35H,12H2.
What are the key properties of 9-[3-(8,8a-dihydrotriphenylen-2-yl)phenyl]-3-dibenzofuran-2-ylcarbazole?
9-[3-(8,8a-dihydrotriphenylen-2-yl)phenyl]-3-dibenzofuran-2-ylcarbazole has a molecular weight of 637.78 g/mol, XLogP of 13.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(8,8a-dihydrotriphenylen-2-yl)phenyl]-3-dibenzofuran-2-ylcarbazole is sourced from PubChem (CID 129260605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).