9-(6,7-dihydrodibenzofuran-2-yl)-3-[3-[9-(6,7-dihydrodibenzofuran-2-yl)carbazol-3-yl]phenyl]carbazole

C54H36N2O2 — CID 144541028

IUPAC9-(6,7-dihydrodibenzofuran-2-yl)-3-[3-[9-(6,7-dihydrodibenzofuran-2-yl)carbazol-3-yl]phenyl]carbazole
SMILESC1=Cc2c(oc3ccc(-n4c5ccccc5c5cc(-c6cccc(-c7ccc8c(c7)c7ccccc7n8-c7ccc8oc9c(c8c7)C=CCC9)c6)ccc54)cc23)CC1
InChIInChI=1S/C54H36N2O2/c1-5-16-47-39(12-1)43-29-35(20-24-49(43)55(47)37-22-26-53-45(31-37)41-14-3-7-18-51(41)57-53)33-10-9-11-34(28-33)36-21-25-50-44(30-36)40-13-2-6-17-48(40)56(50)38-23-27-54-46(32-38)42-15-4-8-19-52(42)58-54/h1-6,9-17,20-32H,7-8,18-19H2
InChIKeyWVKYYCLTAQHLEC-UHFFFAOYSA-N
MW744.89 g/mol
LogP14.63
Rot. Bonds4

About 9-(6,7-dihydrodibenzofuran-2-yl)-3-[3-[9-(6,7-dihydrodibenzofuran-2-yl)carbazol-3-yl]phenyl]carbazole

9-(6,7-dihydrodibenzofuran-2-yl)-3-[3-[9-(6,7-dihydrodibenzofuran-2-yl)carbazol-3-yl]phenyl]carbazole (PubChem CID 144541028) has the molecular formula C54H36N2O2 and a molecular weight of 744.89 g/mol. Its IUPAC name is 9-(6,7-dihydrodibenzofuran-2-yl)-3-[3-[9-(6,7-dihydrodibenzofuran-2-yl)carbazol-3-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-(6,7-dihydrodibenzofuran-2-yl)-3-[3-[9-(6,7-dihydrodibenzofuran-2-yl)carbazol-3-yl]phenyl]carbazole
PubChem CID144541028
Molecular FormulaC54H36N2O2
Molecular Weight744.89 g/mol
Exact Mass744.28
IUPAC Name9-(6,7-dihydrodibenzofuran-2-yl)-3-[3-[9-(6,7-dihydrodibenzofuran-2-yl)carbazol-3-yl]phenyl]carbazole
SMILESC1=Cc2c(oc3ccc(-n4c5ccccc5c5cc(-c6cccc(-c7ccc8c(c7)c7ccccc7n8-c7ccc8oc9c(c8c7)C=CCC9)c6)ccc54)cc23)CC1
InChIInChI=1S/C54H36N2O2/c1-5-16-47-39(12-1)43-29-35(20-24-49(43)55(47)37-22-26-53-45(31-37)41-14-3-7-18-51(41)57-53)33-10-9-11-34(28-33)36-21-25-50-44(30-36)40-13-2-6-17-48(40)56(50)38-23-27-54-46(32-38)42-15-4-8-19-52(42)58-54/h1-6,9-17,20-32H,7-8,18-19H2
InChIKeyWVKYYCLTAQHLEC-UHFFFAOYSA-N
XLogP14.63
TPSA36.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.89
LogP ≤ 514.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-dibenzofuran-2-yl-3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole
CID 123818422
9-dibenzofuran-2-yl-3-[3-[8-(3-phenylcarbazol-9-yl)dibenzofuran-2-yl]phenyl]carbazole
CID 123613126
9-[8-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole;9-[8-[3-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]phenyl]dibenzofuran-2-yl]carbazole
CID 158645763
3-[3-(3-dibenzofuran-2-ylphenyl)carbazol-9-yl]-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 123419299
3-phenyl-9-[8-[3-phenyl-5-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole
CID 170390017
3-carbazol-9-yl-6-[8-[3-[8-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 148847912
6-phenyl-9-[8-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]dibenzofuran-2-yl]-1,2-dihydrocarbazole
CID 155111392
3-[3-(3-phenylphenyl)phenyl]-9-[3-[8-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]carbazol-9-yl]dibenzofuran-2-yl]phenyl]carbazole
CID 118505153
9-dibenzofuran-2-yl-3-phenyl-6-(3-phenylphenyl)carbazole
CID 118488369
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-[3-(3,5-diphenylphenyl)phenyl]-6-phenylcarbazole
CID 129265423
3-carbazol-9-yl-9-[8-[3-[3-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-2-yl]carbazole;2-dibenzofuran-2-yl-9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole;9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole;3-phenyl-9-[8-[3-[3-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-2-yl]carbazole;3-phenyl-9-[9-[8-[3-[3-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-2-yl]carbazol-3-yl]carbazole
CID 159735182
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-6-phenyl-9-(3-phenylphenyl)carbazole
CID 170072680

Frequently Asked Questions

What is the IUPAC name of 9-(6,7-dihydrodibenzofuran-2-yl)-3-[3-[9-(6,7-dihydrodibenzofuran-2-yl)carbazol-3-yl]phenyl]carbazole?
The IUPAC name of 9-(6,7-dihydrodibenzofuran-2-yl)-3-[3-[9-(6,7-dihydrodibenzofuran-2-yl)carbazol-3-yl]phenyl]carbazole (CID 144541028) is 9-(6,7-dihydrodibenzofuran-2-yl)-3-[3-[9-(6,7-dihydrodibenzofuran-2-yl)carbazol-3-yl]phenyl]carbazole.
What is the SMILES notation for 9-(6,7-dihydrodibenzofuran-2-yl)-3-[3-[9-(6,7-dihydrodibenzofuran-2-yl)carbazol-3-yl]phenyl]carbazole?
The canonical SMILES for 9-(6,7-dihydrodibenzofuran-2-yl)-3-[3-[9-(6,7-dihydrodibenzofuran-2-yl)carbazol-3-yl]phenyl]carbazole is C1=Cc2c(oc3ccc(-n4c5ccccc5c5cc(-c6cccc(-c7ccc8c(c7)c7ccccc7n8-c7ccc8oc9c(c8c7)C=CCC9)c6)ccc54)cc23)CC1.
What is the InChIKey of 9-(6,7-dihydrodibenzofuran-2-yl)-3-[3-[9-(6,7-dihydrodibenzofuran-2-yl)carbazol-3-yl]phenyl]carbazole?
The InChIKey is WVKYYCLTAQHLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2O2/c1-5-16-47-39(12-1)43-29-35(20-24-49(43)55(47)37-22-26-53-45(31-37)41-14-3-7-18-51(41)57-53)33-10-9-11-34(28-33)36-21-25-50-44(30-36)40-13-2-6-17-48(40)56(50)38-23-27-54-46(32-38)42-15-4-8-19-52(42)58-54/h1-6,9-17,20-32H,7-8,18-19H2.
What are the key properties of 9-(6,7-dihydrodibenzofuran-2-yl)-3-[3-[9-(6,7-dihydrodibenzofuran-2-yl)carbazol-3-yl]phenyl]carbazole?
9-(6,7-dihydrodibenzofuran-2-yl)-3-[3-[9-(6,7-dihydrodibenzofuran-2-yl)carbazol-3-yl]phenyl]carbazole has a molecular weight of 744.89 g/mol, XLogP of 14.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6,7-dihydrodibenzofuran-2-yl)-3-[3-[9-(6,7-dihydrodibenzofuran-2-yl)carbazol-3-yl]phenyl]carbazole is sourced from PubChem (CID 144541028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).