5-(9-dibenzofuran-2-ylcarbazol-3-yl)-12-(3-phenylphenyl)indolo[3,2-c]carbazole

C54H33N3O — CID 170268239

IUPAC5-(9-dibenzofuran-2-ylcarbazol-3-yl)-12-(3-phenylphenyl)indolo[3,2-c]carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccc6c(c5)c5ccccc5n6-c5ccc6oc7ccccc7c6c5)c43)c2)cc1
InChIInChI=1S/C54H33N3O/c1-2-13-34(14-3-1)35-15-12-16-36(31-35)57-47-22-9-4-17-39(47)42-27-29-50-53(54(42)57)43-20-6-10-23-48(43)56(50)37-25-28-49-44(32-37)40-18-5-8-21-46(40)55(49)38-26-30-52-45(33-38)41-19-7-11-24-51(41)58-52/h1-33H
InChIKeyYEWMUGTWUXSNSR-UHFFFAOYSA-N
MW739.88 g/mol
LogP14.54
Rot. Bonds4

About 5-(9-dibenzofuran-2-ylcarbazol-3-yl)-12-(3-phenylphenyl)indolo[3,2-c]carbazole

5-(9-dibenzofuran-2-ylcarbazol-3-yl)-12-(3-phenylphenyl)indolo[3,2-c]carbazole (PubChem CID 170268239) has the molecular formula C54H33N3O and a molecular weight of 739.88 g/mol. Its IUPAC name is 5-(9-dibenzofuran-2-ylcarbazol-3-yl)-12-(3-phenylphenyl)indolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-(9-dibenzofuran-2-ylcarbazol-3-yl)-12-(3-phenylphenyl)indolo[3,2-c]carbazole
PubChem CID170268239
Molecular FormulaC54H33N3O
Molecular Weight739.88 g/mol
Exact Mass739.26
IUPAC Name5-(9-dibenzofuran-2-ylcarbazol-3-yl)-12-(3-phenylphenyl)indolo[3,2-c]carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccc6c(c5)c5ccccc5n6-c5ccc6oc7ccccc7c6c5)c43)c2)cc1
InChIInChI=1S/C54H33N3O/c1-2-13-34(14-3-1)35-15-12-16-36(31-35)57-47-22-9-4-17-39(47)42-27-29-50-53(54(42)57)43-20-6-10-23-48(43)56(50)37-25-28-49-44(32-37)40-18-5-8-21-46(40)55(49)38-26-30-52-45(33-38)41-19-7-11-24-51(41)58-52/h1-33H
InChIKeyYEWMUGTWUXSNSR-UHFFFAOYSA-N
XLogP14.54
TPSA27.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.88
LogP ≤ 514.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

12-dibenzofuran-2-yl-5-[3-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598858
12-dibenzofuran-2-yl-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 163700915
9-dibenzofuran-2-yl-14-[3-(3-phenylphenyl)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
CID 166961355
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 90350922
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-6-phenyl-9-(3-phenylphenyl)carbazole
CID 170072680
12-(4-carbazol-9-ylphenyl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 134168741
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-[3-(3,5-diphenylphenyl)phenyl]-6-phenylcarbazole
CID 129265423
5-phenyl-12-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-c]carbazole
CID 134168773
5-(3-phenylphenyl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 126656172
12-[3-(4-carbazol-9-ylphenyl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 134168746
12-(3-phenylphenyl)-5-[4-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598833
5-(3-phenylphenyl)-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 164847593

Frequently Asked Questions

What is the IUPAC name of 5-(9-dibenzofuran-2-ylcarbazol-3-yl)-12-(3-phenylphenyl)indolo[3,2-c]carbazole?
The IUPAC name of 5-(9-dibenzofuran-2-ylcarbazol-3-yl)-12-(3-phenylphenyl)indolo[3,2-c]carbazole (CID 170268239) is 5-(9-dibenzofuran-2-ylcarbazol-3-yl)-12-(3-phenylphenyl)indolo[3,2-c]carbazole.
What is the SMILES notation for 5-(9-dibenzofuran-2-ylcarbazol-3-yl)-12-(3-phenylphenyl)indolo[3,2-c]carbazole?
The canonical SMILES for 5-(9-dibenzofuran-2-ylcarbazol-3-yl)-12-(3-phenylphenyl)indolo[3,2-c]carbazole is c1ccc(-c2cccc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccc6c(c5)c5ccccc5n6-c5ccc6oc7ccccc7c6c5)c43)c2)cc1.
What is the InChIKey of 5-(9-dibenzofuran-2-ylcarbazol-3-yl)-12-(3-phenylphenyl)indolo[3,2-c]carbazole?
The InChIKey is YEWMUGTWUXSNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33N3O/c1-2-13-34(14-3-1)35-15-12-16-36(31-35)57-47-22-9-4-17-39(47)42-27-29-50-53(54(42)57)43-20-6-10-23-48(43)56(50)37-25-28-49-44(32-37)40-18-5-8-21-46(40)55(49)38-26-30-52-45(33-38)41-19-7-11-24-51(41)58-52/h1-33H.
What are the key properties of 5-(9-dibenzofuran-2-ylcarbazol-3-yl)-12-(3-phenylphenyl)indolo[3,2-c]carbazole?
5-(9-dibenzofuran-2-ylcarbazol-3-yl)-12-(3-phenylphenyl)indolo[3,2-c]carbazole has a molecular weight of 739.88 g/mol, XLogP of 14.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9-dibenzofuran-2-ylcarbazol-3-yl)-12-(3-phenylphenyl)indolo[3,2-c]carbazole is sourced from PubChem (CID 170268239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).