5-(4a,9b-dihydrodibenzofuran-2-yl)-2-carbazol-9-yl-7,10-diphenylindolo[2,3-b]carbazole

C54H35N3O — CID 71234625

IUPAC5-(4a,9b-dihydrodibenzofuran-2-yl)-2-carbazol-9-yl-7,10-diphenylindolo[2,3-b]carbazole
SMILESC1=CC2Oc3ccccc3C2C=C1n1c2ccc(-n3c4ccccc4c4ccccc43)cc2c2cc3c4cc(-c5ccccc5)ccc4n(-c4ccccc4)c3cc21
InChIInChI=1S/C54H35N3O/c1-3-13-34(14-4-1)35-23-26-49-42(29-35)44-32-45-43-30-37(56-47-20-10-7-17-39(47)40-18-8-11-21-48(40)56)24-27-50(43)57(52(45)33-51(44)55(49)36-15-5-2-6-16-36)38-25-28-54-46(31-38)41-19-9-12-22-53(41)58-54/h1-33,46,54H
InChIKeyKQIOISIKJACLHY-UHFFFAOYSA-N
MW741.89 g/mol
LogP13.61
Rot. Bonds4

About 5-(4a,9b-dihydrodibenzofuran-2-yl)-2-carbazol-9-yl-7,10-diphenylindolo[2,3-b]carbazole

5-(4a,9b-dihydrodibenzofuran-2-yl)-2-carbazol-9-yl-7,10-diphenylindolo[2,3-b]carbazole (PubChem CID 71234625) has the molecular formula C54H35N3O and a molecular weight of 741.89 g/mol. Its IUPAC name is 5-(4a,9b-dihydrodibenzofuran-2-yl)-2-carbazol-9-yl-7,10-diphenylindolo[2,3-b]carbazole.

Molecular Properties

Compound Name5-(4a,9b-dihydrodibenzofuran-2-yl)-2-carbazol-9-yl-7,10-diphenylindolo[2,3-b]carbazole
PubChem CID71234625
Molecular FormulaC54H35N3O
Molecular Weight741.89 g/mol
Exact Mass741.28
IUPAC Name5-(4a,9b-dihydrodibenzofuran-2-yl)-2-carbazol-9-yl-7,10-diphenylindolo[2,3-b]carbazole
SMILESC1=CC2Oc3ccccc3C2C=C1n1c2ccc(-n3c4ccccc4c4ccccc43)cc2c2cc3c4cc(-c5ccccc5)ccc4n(-c4ccccc4)c3cc21
InChIInChI=1S/C54H35N3O/c1-3-13-34(14-4-1)35-23-26-49-42(29-35)44-32-45-43-30-37(56-47-20-10-7-17-39(47)40-18-8-11-21-48(40)56)24-27-50(43)57(52(45)33-51(44)55(49)36-15-5-2-6-16-36)38-25-28-54-46(31-38)41-19-9-12-22-53(41)58-54/h1-33,46,54H
InChIKeyKQIOISIKJACLHY-UHFFFAOYSA-N
XLogP13.61
TPSA24.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.89
LogP ≤ 513.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[3-(8-carbazol-9-yl-5a,9a-dihydrodibenzofuran-2-yl)-5-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]carbazole
CID 87415451
5-(4a,9b-dihydrodibenzofuran-2-yl)-5'-dibenzofuran-2-yl-7,7'-spirobi[indeno[2,1-b]carbazole]
CID 129136413
5-(9-phenylcarbazol-3-yl)-7-(4-phenylphenyl)indolo[2,3-b]carbazole;7-phenyl-5-(9-phenylcarbazol-3-yl)indolo[2,3-b]carbazole;7-phenyl-5-[9-(3-phenylphenyl)carbazol-3-yl]indolo[2,3-b]carbazole
CID 158411261
3-methyl-9-(8-methyl-4a,9b-dihydrodibenzofuran-2-yl)carbazole
CID 138722958
2-carbazol-9-yl-5-phenyl-7-(3-phenylphenyl)indolo[2,3-b]carbazole
CID 134194417
3-carbazol-9-yl-9-(3-carbazol-9-ylphenyl)carbazole;3-carbazol-9-yl-9-(9-phenylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-(4-phenylphenyl)carbazole;5,7-diphenylindolo[2,3-b]carbazole
CID 159682410
7-[4-(4-carbazol-9-ylphenyl)phenyl]-5-(3-phenylphenyl)indolo[2,3-b]carbazole
CID 134168520
bis(3-carbazol-9-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole);9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 159641883
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
CID 174179535
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312

Frequently Asked Questions

What is the IUPAC name of 5-(4a,9b-dihydrodibenzofuran-2-yl)-2-carbazol-9-yl-7,10-diphenylindolo[2,3-b]carbazole?
The IUPAC name of 5-(4a,9b-dihydrodibenzofuran-2-yl)-2-carbazol-9-yl-7,10-diphenylindolo[2,3-b]carbazole (CID 71234625) is 5-(4a,9b-dihydrodibenzofuran-2-yl)-2-carbazol-9-yl-7,10-diphenylindolo[2,3-b]carbazole.
What is the SMILES notation for 5-(4a,9b-dihydrodibenzofuran-2-yl)-2-carbazol-9-yl-7,10-diphenylindolo[2,3-b]carbazole?
The canonical SMILES for 5-(4a,9b-dihydrodibenzofuran-2-yl)-2-carbazol-9-yl-7,10-diphenylindolo[2,3-b]carbazole is C1=CC2Oc3ccccc3C2C=C1n1c2ccc(-n3c4ccccc4c4ccccc43)cc2c2cc3c4cc(-c5ccccc5)ccc4n(-c4ccccc4)c3cc21.
What is the InChIKey of 5-(4a,9b-dihydrodibenzofuran-2-yl)-2-carbazol-9-yl-7,10-diphenylindolo[2,3-b]carbazole?
The InChIKey is KQIOISIKJACLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N3O/c1-3-13-34(14-4-1)35-23-26-49-42(29-35)44-32-45-43-30-37(56-47-20-10-7-17-39(47)40-18-8-11-21-48(40)56)24-27-50(43)57(52(45)33-51(44)55(49)36-15-5-2-6-16-36)38-25-28-54-46(31-38)41-19-9-12-22-53(41)58-54/h1-33,46,54H.
What are the key properties of 5-(4a,9b-dihydrodibenzofuran-2-yl)-2-carbazol-9-yl-7,10-diphenylindolo[2,3-b]carbazole?
5-(4a,9b-dihydrodibenzofuran-2-yl)-2-carbazol-9-yl-7,10-diphenylindolo[2,3-b]carbazole has a molecular weight of 741.89 g/mol, XLogP of 13.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4a,9b-dihydrodibenzofuran-2-yl)-2-carbazol-9-yl-7,10-diphenylindolo[2,3-b]carbazole is sourced from PubChem (CID 71234625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).