3-[9-[4-(5a,9a-dihydrodibenzofuran-4-yl)phenyl]carbazol-3-yl]-9-(4-dibenzofuran-4-ylphenyl)carbazole

C60H38N2O2 — CID 142296865

IUPAC3-[9-[4-(5a,9a-dihydrodibenzofuran-4-yl)phenyl]carbazol-3-yl]-9-(4-dibenzofuran-4-ylphenyl)carbazole
SMILESC1=CC2Oc3c(-c4ccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccc(-c8cccc9c8oc8ccccc89)cc7)ccc65)cc4)cccc3C2C=C1
InChIInChI=1S/C60H38N2O2/c1-5-19-53-45(11-1)51-35-39(27-33-55(51)61(53)41-29-23-37(24-30-41)43-15-9-17-49-47-13-3-7-21-57(47)63-59(43)49)40-28-34-56-52(36-40)46-12-2-6-20-54(46)62(56)42-31-25-38(26-32-42)44-16-10-18-50-48-14-4-8-22-58(48)64-60(44)50/h1-36,47,57H
InChIKeyLVGHJNBNEZQCRM-UHFFFAOYSA-N
MW818.98 g/mol
LogP15.75
Rot. Bonds5

About 3-[9-[4-(5a,9a-dihydrodibenzofuran-4-yl)phenyl]carbazol-3-yl]-9-(4-dibenzofuran-4-ylphenyl)carbazole

3-[9-[4-(5a,9a-dihydrodibenzofuran-4-yl)phenyl]carbazol-3-yl]-9-(4-dibenzofuran-4-ylphenyl)carbazole (PubChem CID 142296865) has the molecular formula C60H38N2O2 and a molecular weight of 818.98 g/mol. Its IUPAC name is 3-[9-[4-(5a,9a-dihydrodibenzofuran-4-yl)phenyl]carbazol-3-yl]-9-(4-dibenzofuran-4-ylphenyl)carbazole.

Molecular Properties

Compound Name3-[9-[4-(5a,9a-dihydrodibenzofuran-4-yl)phenyl]carbazol-3-yl]-9-(4-dibenzofuran-4-ylphenyl)carbazole
PubChem CID142296865
Molecular FormulaC60H38N2O2
Molecular Weight818.98 g/mol
Exact Mass818.29
IUPAC Name3-[9-[4-(5a,9a-dihydrodibenzofuran-4-yl)phenyl]carbazol-3-yl]-9-(4-dibenzofuran-4-ylphenyl)carbazole
SMILESC1=CC2Oc3c(-c4ccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccc(-c8cccc9c8oc8ccccc89)cc7)ccc65)cc4)cccc3C2C=C1
InChIInChI=1S/C60H38N2O2/c1-5-19-53-45(11-1)51-35-39(27-33-55(51)61(53)41-29-23-37(24-30-41)43-15-9-17-49-47-13-3-7-21-57(47)63-59(43)49)40-28-34-56-52(36-40)46-12-2-6-20-54(46)62(56)42-31-25-38(26-32-42)44-16-10-18-50-48-14-4-8-22-58(48)64-60(44)50/h1-36,47,57H
InChIKeyLVGHJNBNEZQCRM-UHFFFAOYSA-N
XLogP15.75
TPSA32.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500818.98
LogP ≤ 515.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[9-[4-(5a,9a-dihydrodibenzofuran-4-yl)phenyl]carbazol-3-yl]-9-(4-dibenzofuran-4-ylphenyl)carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)carbazole
CID 121449395
N-[4-(5a,9a-dihydrodibenzofuran-4-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline
CID 118148534
9-[4-(4-bromophenyl)phenyl]-3-(4-dibenzofuran-4-ylphenyl)carbazole
CID 118402480
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
12-(4-carbazol-9-ylphenyl)-11-phenylindolo[2,3-a]carbazole;12-(4-dibenzofuran-4-ylphenyl)-11-phenylindolo[2,3-a]carbazole;11,12-diphenyl-3-(9-phenylcarbazol-3-yl)indolo[2,3-a]carbazole;methane
CID 158881959
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
3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 134313296
3-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 121262432
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
4-(4-bromophenyl)dibenzofuran;3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 158714965

Frequently Asked Questions

What is the IUPAC name of 3-[9-[4-(5a,9a-dihydrodibenzofuran-4-yl)phenyl]carbazol-3-yl]-9-(4-dibenzofuran-4-ylphenyl)carbazole?
The IUPAC name of 3-[9-[4-(5a,9a-dihydrodibenzofuran-4-yl)phenyl]carbazol-3-yl]-9-(4-dibenzofuran-4-ylphenyl)carbazole (CID 142296865) is 3-[9-[4-(5a,9a-dihydrodibenzofuran-4-yl)phenyl]carbazol-3-yl]-9-(4-dibenzofuran-4-ylphenyl)carbazole.
What is the SMILES notation for 3-[9-[4-(5a,9a-dihydrodibenzofuran-4-yl)phenyl]carbazol-3-yl]-9-(4-dibenzofuran-4-ylphenyl)carbazole?
The canonical SMILES for 3-[9-[4-(5a,9a-dihydrodibenzofuran-4-yl)phenyl]carbazol-3-yl]-9-(4-dibenzofuran-4-ylphenyl)carbazole is C1=CC2Oc3c(-c4ccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccc(-c8cccc9c8oc8ccccc89)cc7)ccc65)cc4)cccc3C2C=C1.
What is the InChIKey of 3-[9-[4-(5a,9a-dihydrodibenzofuran-4-yl)phenyl]carbazol-3-yl]-9-(4-dibenzofuran-4-ylphenyl)carbazole?
The InChIKey is LVGHJNBNEZQCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38N2O2/c1-5-19-53-45(11-1)51-35-39(27-33-55(51)61(53)41-29-23-37(24-30-41)43-15-9-17-49-47-13-3-7-21-57(47)63-59(43)49)40-28-34-56-52(36-40)46-12-2-6-20-54(46)62(56)42-31-25-38(26-32-42)44-16-10-18-50-48-14-4-8-22-58(48)64-60(44)50/h1-36,47,57H.
What are the key properties of 3-[9-[4-(5a,9a-dihydrodibenzofuran-4-yl)phenyl]carbazol-3-yl]-9-(4-dibenzofuran-4-ylphenyl)carbazole?
3-[9-[4-(5a,9a-dihydrodibenzofuran-4-yl)phenyl]carbazol-3-yl]-9-(4-dibenzofuran-4-ylphenyl)carbazole has a molecular weight of 818.98 g/mol, XLogP of 15.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[4-(5a,9a-dihydrodibenzofuran-4-yl)phenyl]carbazol-3-yl]-9-(4-dibenzofuran-4-ylphenyl)carbazole is sourced from PubChem (CID 142296865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).