4-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)-5-(6,7-dihydrodibenzofuran-2-yl)-2,3-dihydrocarbazole

C54H35NO3 — CID 154970662

IUPAC4-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)-5-(6,7-dihydrodibenzofuran-2-yl)-2,3-dihydrocarbazole
SMILESC1=Cc2c(oc3ccc(-c4cccc5c4c4c(n5-c5ccc(-c6cccc7c6oc6ccccc67)cc5)=CCCC=4c4ccc5oc6ccccc6c5c4)cc23)CC1
InChIInChI=1S/C54H35NO3/c1-6-21-49-39(10-1)42-16-7-15-38(54(42)58-49)32-22-26-35(27-23-32)55-45-17-8-13-36(33-24-28-50-43(30-33)40-11-2-4-19-47(40)56-50)52(45)53-37(14-9-18-46(53)55)34-25-29-51-44(31-34)41-12-3-5-20-48(41)57-51/h1-4,6-7,9-12,14-19,21-31H,5,8,13,20H2
InChIKeyWTHXMSBBBCQPQO-UHFFFAOYSA-N
MW745.88 g/mol
LogP13.24
Rot. Bonds4

About 4-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)-5-(6,7-dihydrodibenzofuran-2-yl)-2,3-dihydrocarbazole

4-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)-5-(6,7-dihydrodibenzofuran-2-yl)-2,3-dihydrocarbazole (PubChem CID 154970662) has the molecular formula C54H35NO3 and a molecular weight of 745.88 g/mol. Its IUPAC name is 4-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)-5-(6,7-dihydrodibenzofuran-2-yl)-2,3-dihydrocarbazole.

Molecular Properties

Compound Name4-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)-5-(6,7-dihydrodibenzofuran-2-yl)-2,3-dihydrocarbazole
PubChem CID154970662
Molecular FormulaC54H35NO3
Molecular Weight745.88 g/mol
Exact Mass745.26
IUPAC Name4-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)-5-(6,7-dihydrodibenzofuran-2-yl)-2,3-dihydrocarbazole
SMILESC1=Cc2c(oc3ccc(-c4cccc5c4c4c(n5-c5ccc(-c6cccc7c6oc6ccccc67)cc5)=CCCC=4c4ccc5oc6ccccc6c5c4)cc23)CC1
InChIInChI=1S/C54H35NO3/c1-6-21-49-39(10-1)42-16-7-15-38(54(42)58-49)32-22-26-35(27-23-32)55-45-17-8-13-36(33-24-28-50-43(30-33)40-11-2-4-19-47(40)56-50)52(45)53-37(14-9-18-46(53)55)34-25-29-51-44(31-34)41-12-3-5-20-48(41)57-51/h1-4,6-7,9-12,14-19,21-31H,5,8,13,20H2
InChIKeyWTHXMSBBBCQPQO-UHFFFAOYSA-N
XLogP13.24
TPSA44.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.88
LogP ≤ 513.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-dibenzofuran-4-yl-6-(6,7-dihydrodibenzofuran-4-yl)-9-(3-triphenylen-2-ylphenyl)carbazole
CID 88573967
3-(3-dibenzofuran-2-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)carbazole
CID 137466609
7-[3-dibenzofuran-4-yl-5-(3,5-diphenylphenyl)phenyl]-3,4-dihydro-[1]benzofuro[2,3-b]carbazole
CID 142380457
3-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)carbazole
CID 121449395
4-dibenzofuran-2-yl-5-(3,4-dihydrodibenzofuran-2-yl)-9-(4-phenylphenyl)carbazole
CID 154970898
9-(6,7-dihydrodibenzofuran-2-yl)-3-[3-[9-(6,7-dihydrodibenzofuran-2-yl)carbazol-3-yl]phenyl]carbazole
CID 144541028
9-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-3-(1,2-dihydrocarbazol-9-yl)carbazole
CID 67121591
3-[8-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 137474197
2-(4-dibenzofuran-2-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)carbazole
CID 137474165
4-[9-[6-(6,7-dihydrodibenzofuran-3-yl)-4-phenyl-2-pyridinyl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 166737490
4-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylanilino)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(1,2-dihydrocarbazol-9-yl)phenyl]aniline
CID 88590520
3-dibenzofuran-4-yl-9-[4-[8-(3-dibenzofuran-4-ylcarbazol-9-yl)dibenzofuran-2-yl]phenyl]carbazole
CID 121449462

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)-5-(6,7-dihydrodibenzofuran-2-yl)-2,3-dihydrocarbazole?
The IUPAC name of 4-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)-5-(6,7-dihydrodibenzofuran-2-yl)-2,3-dihydrocarbazole (CID 154970662) is 4-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)-5-(6,7-dihydrodibenzofuran-2-yl)-2,3-dihydrocarbazole.
What is the SMILES notation for 4-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)-5-(6,7-dihydrodibenzofuran-2-yl)-2,3-dihydrocarbazole?
The canonical SMILES for 4-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)-5-(6,7-dihydrodibenzofuran-2-yl)-2,3-dihydrocarbazole is C1=Cc2c(oc3ccc(-c4cccc5c4c4c(n5-c5ccc(-c6cccc7c6oc6ccccc67)cc5)=CCCC=4c4ccc5oc6ccccc6c5c4)cc23)CC1.
What is the InChIKey of 4-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)-5-(6,7-dihydrodibenzofuran-2-yl)-2,3-dihydrocarbazole?
The InChIKey is WTHXMSBBBCQPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35NO3/c1-6-21-49-39(10-1)42-16-7-15-38(54(42)58-49)32-22-26-35(27-23-32)55-45-17-8-13-36(33-24-28-50-43(30-33)40-11-2-4-19-47(40)56-50)52(45)53-37(14-9-18-46(53)55)34-25-29-51-44(31-34)41-12-3-5-20-48(41)57-51/h1-4,6-7,9-12,14-19,21-31H,5,8,13,20H2.
What are the key properties of 4-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)-5-(6,7-dihydrodibenzofuran-2-yl)-2,3-dihydrocarbazole?
4-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)-5-(6,7-dihydrodibenzofuran-2-yl)-2,3-dihydrocarbazole has a molecular weight of 745.88 g/mol, XLogP of 13.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)-5-(6,7-dihydrodibenzofuran-2-yl)-2,3-dihydrocarbazole is sourced from PubChem (CID 154970662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).