3-(6-cyclohexa-1,3-dien-1-yl-5a,9a-dihydrodibenzofuran-4-yl)-6-(6-phenyldibenzofuran-4-yl)-9H-carbazole

C48H33NO2 — CID 88574118

IUPAC3-(6-cyclohexa-1,3-dien-1-yl-5a,9a-dihydrodibenzofuran-4-yl)-6-(6-phenyldibenzofuran-4-yl)-9H-carbazole
SMILESC1=CCCC(C2=CC=CC3c4cccc(-c5ccc6[nH]c7ccc(-c8cccc9c8oc8c(-c%10ccccc%10)cccc89)cc7c6c5)c4OC23)=C1
InChIInChI=1S/C48H33NO2/c1-3-11-29(12-4-1)33-15-7-19-37-39-21-9-17-35(47(39)50-45(33)37)31-23-25-43-41(27-31)42-28-32(24-26-44(42)49-43)36-18-10-22-40-38-20-8-16-34(46(38)51-48(36)40)30-13-5-2-6-14-30/h1-5,7-13,15-28,38,46,49H,6,14H2
InChIKeyVJIMZBZCLHASIB-UHFFFAOYSA-N
MW655.80 g/mol
LogP12.84
Rot. Bonds4

About 3-(6-cyclohexa-1,3-dien-1-yl-5a,9a-dihydrodibenzofuran-4-yl)-6-(6-phenyldibenzofuran-4-yl)-9H-carbazole

3-(6-cyclohexa-1,3-dien-1-yl-5a,9a-dihydrodibenzofuran-4-yl)-6-(6-phenyldibenzofuran-4-yl)-9H-carbazole (PubChem CID 88574118) has the molecular formula C48H33NO2 and a molecular weight of 655.80 g/mol. Its IUPAC name is 3-(6-cyclohexa-1,3-dien-1-yl-5a,9a-dihydrodibenzofuran-4-yl)-6-(6-phenyldibenzofuran-4-yl)-9H-carbazole.

Molecular Properties

Compound Name3-(6-cyclohexa-1,3-dien-1-yl-5a,9a-dihydrodibenzofuran-4-yl)-6-(6-phenyldibenzofuran-4-yl)-9H-carbazole
PubChem CID88574118
Molecular FormulaC48H33NO2
Molecular Weight655.80 g/mol
Exact Mass655.25
IUPAC Name3-(6-cyclohexa-1,3-dien-1-yl-5a,9a-dihydrodibenzofuran-4-yl)-6-(6-phenyldibenzofuran-4-yl)-9H-carbazole
SMILESC1=CCCC(C2=CC=CC3c4cccc(-c5ccc6[nH]c7ccc(-c8cccc9c8oc8c(-c%10ccccc%10)cccc89)cc7c6c5)c4OC23)=C1
InChIInChI=1S/C48H33NO2/c1-3-11-29(12-4-1)33-15-7-19-37-39-21-9-17-35(47(39)50-45(33)37)31-23-25-43-41(27-31)42-28-32(24-26-44(42)49-43)36-18-10-22-40-38-20-8-16-34(46(38)51-48(36)40)30-13-5-2-6-14-30/h1-5,7-13,15-28,38,46,49H,6,14H2
InChIKeyVJIMZBZCLHASIB-UHFFFAOYSA-N
XLogP12.84
TPSA38.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.80
LogP ≤ 512.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[6-(4-phenylphenyl)-4a,9b-dihydrodibenzofuran-4-yl]-6-[6-(4-phenylphenyl)dibenzofuran-4-yl]-4,9-dihydro-3H-carbazole
CID 123166999
9-[3-[18-(3-carbazol-9-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,15,17-octaen-5-yl]phenyl]carbazole
CID 67953594
3-dibenzofuran-4-yl-6-(4-phenylphenyl)-9H-carbazole
CID 66800210
5,18-bis(9,9-dimethylfluoren-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,15,17-octaene
CID 67953566
8-(8-cyclohexa-1,3-dien-1-yldibenzofuran-2-yl)-16-(8-phenyldibenzofuran-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene
CID 163487092
8,16-di(triphenylen-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,16,18-octaene
CID 88882610
4-N-(6-phenyl-5a,9a-dihydrodibenzofuran-4-yl)-20-N-(6-phenyldibenzofuran-4-yl)-4-N,20-N-bis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),3,5,7,9,14,16,18,20-nonaene-4,20-diamine
CID 167270538
N-[4-(5a,9a-dihydrodibenzofuran-4-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline
CID 118148534
3-[3-[3-[[4-(4a,9b-dihydrodibenzofuran-4-yl)cyclohexa-1,3-dien-1-yl]-cyclohexa-1,5-dien-1-ylamino]cyclohexa-1,5-dien-1-yl]phenyl]-N-cyclohexa-2,4-dien-1-yl-N-(4-dibenzofuran-4-ylphenyl)aniline
CID 130461976
N-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-[4-[4-methyl-3-(6-phenyldibenzofuran-1-yl)cyclohexa-1,5-dien-1-yl]phenyl]-3-naphthalen-1-ylaniline
CID 170229465
4-(4-phenylphenyl)-6-triphenylen-2-yldibenzofuran
CID 118651099
3-[9-[4-(5a,9a-dihydrodibenzofuran-4-yl)phenyl]carbazol-3-yl]-9-(4-dibenzofuran-4-ylphenyl)carbazole
CID 142296865

Frequently Asked Questions

What is the IUPAC name of 3-(6-cyclohexa-1,3-dien-1-yl-5a,9a-dihydrodibenzofuran-4-yl)-6-(6-phenyldibenzofuran-4-yl)-9H-carbazole?
The IUPAC name of 3-(6-cyclohexa-1,3-dien-1-yl-5a,9a-dihydrodibenzofuran-4-yl)-6-(6-phenyldibenzofuran-4-yl)-9H-carbazole (CID 88574118) is 3-(6-cyclohexa-1,3-dien-1-yl-5a,9a-dihydrodibenzofuran-4-yl)-6-(6-phenyldibenzofuran-4-yl)-9H-carbazole.
What is the SMILES notation for 3-(6-cyclohexa-1,3-dien-1-yl-5a,9a-dihydrodibenzofuran-4-yl)-6-(6-phenyldibenzofuran-4-yl)-9H-carbazole?
The canonical SMILES for 3-(6-cyclohexa-1,3-dien-1-yl-5a,9a-dihydrodibenzofuran-4-yl)-6-(6-phenyldibenzofuran-4-yl)-9H-carbazole is C1=CCCC(C2=CC=CC3c4cccc(-c5ccc6[nH]c7ccc(-c8cccc9c8oc8c(-c%10ccccc%10)cccc89)cc7c6c5)c4OC23)=C1.
What is the InChIKey of 3-(6-cyclohexa-1,3-dien-1-yl-5a,9a-dihydrodibenzofuran-4-yl)-6-(6-phenyldibenzofuran-4-yl)-9H-carbazole?
The InChIKey is VJIMZBZCLHASIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33NO2/c1-3-11-29(12-4-1)33-15-7-19-37-39-21-9-17-35(47(39)50-45(33)37)31-23-25-43-41(27-31)42-28-32(24-26-44(42)49-43)36-18-10-22-40-38-20-8-16-34(46(38)51-48(36)40)30-13-5-2-6-14-30/h1-5,7-13,15-28,38,46,49H,6,14H2.
What are the key properties of 3-(6-cyclohexa-1,3-dien-1-yl-5a,9a-dihydrodibenzofuran-4-yl)-6-(6-phenyldibenzofuran-4-yl)-9H-carbazole?
3-(6-cyclohexa-1,3-dien-1-yl-5a,9a-dihydrodibenzofuran-4-yl)-6-(6-phenyldibenzofuran-4-yl)-9H-carbazole has a molecular weight of 655.80 g/mol, XLogP of 12.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-cyclohexa-1,3-dien-1-yl-5a,9a-dihydrodibenzofuran-4-yl)-6-(6-phenyldibenzofuran-4-yl)-9H-carbazole is sourced from PubChem (CID 88574118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).