9-dibenzofuran-2-yl-8-[3-(3,5-diphenylphenyl)phenyl]-4a,9a-dihydrocarbazole

C48H33NO — CID 70956943

IUPAC9-dibenzofuran-2-yl-8-[3-(3,5-diphenylphenyl)phenyl]-4a,9a-dihydrocarbazole
SMILESC1=CC2c3cccc(-c4cccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)c4)c3N(c3ccc4oc5ccccc5c4c3)C2C=C1
InChIInChI=1S/C48H33NO/c1-3-13-32(14-4-1)36-28-37(33-15-5-2-6-16-33)30-38(29-36)34-17-11-18-35(27-34)40-21-12-22-43-41-19-7-9-23-45(41)49(48(40)43)39-25-26-47-44(31-39)42-20-8-10-24-46(42)50-47/h1-31,41,45H
InChIKeyNVJWXXYQZYFARD-UHFFFAOYSA-N
MW639.80 g/mol
LogP12.98
Rot. Bonds5

About 9-dibenzofuran-2-yl-8-[3-(3,5-diphenylphenyl)phenyl]-4a,9a-dihydrocarbazole

9-dibenzofuran-2-yl-8-[3-(3,5-diphenylphenyl)phenyl]-4a,9a-dihydrocarbazole (PubChem CID 70956943) has the molecular formula C48H33NO and a molecular weight of 639.80 g/mol. Its IUPAC name is 9-dibenzofuran-2-yl-8-[3-(3,5-diphenylphenyl)phenyl]-4a,9a-dihydrocarbazole.

Molecular Properties

Compound Name9-dibenzofuran-2-yl-8-[3-(3,5-diphenylphenyl)phenyl]-4a,9a-dihydrocarbazole
PubChem CID70956943
Molecular FormulaC48H33NO
Molecular Weight639.80 g/mol
Exact Mass639.26
IUPAC Name9-dibenzofuran-2-yl-8-[3-(3,5-diphenylphenyl)phenyl]-4a,9a-dihydrocarbazole
SMILESC1=CC2c3cccc(-c4cccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)c4)c3N(c3ccc4oc5ccccc5c4c3)C2C=C1
InChIInChI=1S/C48H33NO/c1-3-13-32(14-4-1)36-28-37(33-15-5-2-6-16-33)30-38(29-36)34-17-11-18-35(27-34)40-21-12-22-43-41-19-7-9-23-45(41)49(48(40)43)39-25-26-47-44(31-39)42-20-8-10-24-46(42)50-47/h1-31,41,45H
InChIKeyNVJWXXYQZYFARD-UHFFFAOYSA-N
XLogP12.98
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.80
LogP ≤ 512.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-[4-dibenzofuran-2-yl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenyl-4a,9a-dihydrocarbazole
CID 170153049
9-(3,5-diphenylphenyl)-3-[9-(3,5-diphenylphenyl)-4b,8a-dihydrocarbazol-1-yl]carbazole
CID 118312808
N-dibenzofuran-2-yl-11-phenyl-N-(3-phenylphenyl)-6b,10a-dihydrobenzo[a]carbazol-2-amine
CID 175614953
9-[6-[3-[8-(4a,9a-dihydrocarbazol-9-yl)dibenzofuran-4-yl]phenyl]dibenzofuran-2-yl]carbazole
CID 163719008
9-[6-[3-[2-(4a,9a-dihydrocarbazol-9-yl)dibenzofuran-4-yl]phenyl]dibenzofuran-2-yl]carbazole
CID 163612002
N-[4-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 154947238
9-[8-(4a,9a-dihydrocarbazol-9-yl)dibenzofuran-1-yl]carbazole
CID 166928424
(4aR)-9-dibenzofuran-2-yl-6-(2,4,6-trimethylphenyl)-4a,9a-dihydrocarbazole
CID 71248620
2-(4a,9a-dihydrocarbazol-9-yl)-9-carbazol-9-yl-12-dibenzofuran-2-yl-5-phenylindolo[3,2-c]carbazole
CID 71059003
9-dibenzofuran-2-yl-3-phenyl-6-(3-phenylphenyl)carbazole
CID 118488369
9-[8-[6-[8-carbazol-9-yl-2-(3-carbazol-9-ylphenyl)dibenzofuran-4-yl]-4a,9a-dihydrocarbazol-9-yl]dibenzofuran-4-yl]carbazole
CID 163934988
18-(4-phenylphenyl)-15-(4-phenylquinazolin-2-yl)-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),20,22,26-undecaene
CID 163568569

Frequently Asked Questions

What is the IUPAC name of 9-dibenzofuran-2-yl-8-[3-(3,5-diphenylphenyl)phenyl]-4a,9a-dihydrocarbazole?
The IUPAC name of 9-dibenzofuran-2-yl-8-[3-(3,5-diphenylphenyl)phenyl]-4a,9a-dihydrocarbazole (CID 70956943) is 9-dibenzofuran-2-yl-8-[3-(3,5-diphenylphenyl)phenyl]-4a,9a-dihydrocarbazole.
What is the SMILES notation for 9-dibenzofuran-2-yl-8-[3-(3,5-diphenylphenyl)phenyl]-4a,9a-dihydrocarbazole?
The canonical SMILES for 9-dibenzofuran-2-yl-8-[3-(3,5-diphenylphenyl)phenyl]-4a,9a-dihydrocarbazole is C1=CC2c3cccc(-c4cccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)c4)c3N(c3ccc4oc5ccccc5c4c3)C2C=C1.
What is the InChIKey of 9-dibenzofuran-2-yl-8-[3-(3,5-diphenylphenyl)phenyl]-4a,9a-dihydrocarbazole?
The InChIKey is NVJWXXYQZYFARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33NO/c1-3-13-32(14-4-1)36-28-37(33-15-5-2-6-16-33)30-38(29-36)34-17-11-18-35(27-34)40-21-12-22-43-41-19-7-9-23-45(41)49(48(40)43)39-25-26-47-44(31-39)42-20-8-10-24-46(42)50-47/h1-31,41,45H.
What are the key properties of 9-dibenzofuran-2-yl-8-[3-(3,5-diphenylphenyl)phenyl]-4a,9a-dihydrocarbazole?
9-dibenzofuran-2-yl-8-[3-(3,5-diphenylphenyl)phenyl]-4a,9a-dihydrocarbazole has a molecular weight of 639.80 g/mol, XLogP of 12.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzofuran-2-yl-8-[3-(3,5-diphenylphenyl)phenyl]-4a,9a-dihydrocarbazole is sourced from PubChem (CID 70956943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).