2-dibenzofuran-4-yl-5,6-diphenyl-9-[4-(9-phenylcarbazol-4-yl)phenyl]indolo[2,3-b]indole

C62H39N3O — CID 144596182

IUPAC2-dibenzofuran-4-yl-5,6-diphenyl-9-[4-(9-phenylcarbazol-4-yl)phenyl]indolo[2,3-b]indole
SMILESc1ccc(-n2c3ccccc3c3c(-c4ccc(-c5ccc6c(c5)c5c7cc(-c8cccc9c8oc8ccccc89)ccc7n(-c7ccccc7)c5n6-c5ccccc5)cc4)cccc32)cc1
InChIInChI=1S/C62H39N3O/c1-4-16-44(17-5-1)63-54-27-12-10-23-51(54)59-47(24-15-28-57(59)63)41-32-30-40(31-33-41)42-34-36-55-52(38-42)60-53-39-43(48-25-14-26-50-49-22-11-13-29-58(49)66-61(48)50)35-37-56(53)65(46-20-8-3-9-21-46)62(60)64(55)45-18-6-2-7-19-45/h1-39H
InChIKeyZFBNLDGVASLGHV-UHFFFAOYSA-N
MW842.01 g/mol
LogP16.73
Rot. Bonds6

About 2-dibenzofuran-4-yl-5,6-diphenyl-9-[4-(9-phenylcarbazol-4-yl)phenyl]indolo[2,3-b]indole

2-dibenzofuran-4-yl-5,6-diphenyl-9-[4-(9-phenylcarbazol-4-yl)phenyl]indolo[2,3-b]indole (PubChem CID 144596182) has the molecular formula C62H39N3O and a molecular weight of 842.01 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-5,6-diphenyl-9-[4-(9-phenylcarbazol-4-yl)phenyl]indolo[2,3-b]indole.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-5,6-diphenyl-9-[4-(9-phenylcarbazol-4-yl)phenyl]indolo[2,3-b]indole
PubChem CID144596182
Molecular FormulaC62H39N3O
Molecular Weight842.01 g/mol
Exact Mass841.31
IUPAC Name2-dibenzofuran-4-yl-5,6-diphenyl-9-[4-(9-phenylcarbazol-4-yl)phenyl]indolo[2,3-b]indole
SMILESc1ccc(-n2c3ccccc3c3c(-c4ccc(-c5ccc6c(c5)c5c7cc(-c8cccc9c8oc8ccccc89)ccc7n(-c7ccccc7)c5n6-c5ccccc5)cc4)cccc32)cc1
InChIInChI=1S/C62H39N3O/c1-4-16-44(17-5-1)63-54-27-12-10-23-51(54)59-47(24-15-28-57(59)63)41-32-30-40(31-33-41)42-34-36-55-52(38-42)60-53-39-43(48-25-14-26-50-49-22-11-13-29-58(49)66-61(48)50)35-37-56(53)65(46-20-8-3-9-21-46)62(60)64(55)45-18-6-2-7-19-45/h1-39H
InChIKeyZFBNLDGVASLGHV-UHFFFAOYSA-N
XLogP16.73
TPSA27.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500842.01
LogP ≤ 516.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
3-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 121262432
9-(4-dibenzofuran-4-ylphenyl)-14-(4-phenylphenyl)-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 126580156
9-(4-dibenzofuran-4-ylphenyl)-14-[4-(4-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 126580159
12-(4-dibenzofuran-4-ylphenyl)-5,9-diphenylindolo[3,2-c]carbazole
CID 126580189
9-(3-dibenzofuran-4-ylphenyl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole
CID 129265333
4-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran;9-phenyl-4-[2-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]carbazole;9-phenyl-4-[3-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]carbazole
CID 165044312
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
N-[4-(9-phenylcarbazol-4-yl)phenyl]-4-(6-phenyldibenzofuran-2-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 168804413
3-dibenzofuran-4-yl-9-(3-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 121449361
1-N-[4-[6-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-4-N,4-N-bis[4-(N-[4-[6-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]anilino)phenyl]-1-N-phenylbenzene-1,4-diamine
CID 118402476

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-5,6-diphenyl-9-[4-(9-phenylcarbazol-4-yl)phenyl]indolo[2,3-b]indole?
The IUPAC name of 2-dibenzofuran-4-yl-5,6-diphenyl-9-[4-(9-phenylcarbazol-4-yl)phenyl]indolo[2,3-b]indole (CID 144596182) is 2-dibenzofuran-4-yl-5,6-diphenyl-9-[4-(9-phenylcarbazol-4-yl)phenyl]indolo[2,3-b]indole.
What is the SMILES notation for 2-dibenzofuran-4-yl-5,6-diphenyl-9-[4-(9-phenylcarbazol-4-yl)phenyl]indolo[2,3-b]indole?
The canonical SMILES for 2-dibenzofuran-4-yl-5,6-diphenyl-9-[4-(9-phenylcarbazol-4-yl)phenyl]indolo[2,3-b]indole is c1ccc(-n2c3ccccc3c3c(-c4ccc(-c5ccc6c(c5)c5c7cc(-c8cccc9c8oc8ccccc89)ccc7n(-c7ccccc7)c5n6-c5ccccc5)cc4)cccc32)cc1.
What is the InChIKey of 2-dibenzofuran-4-yl-5,6-diphenyl-9-[4-(9-phenylcarbazol-4-yl)phenyl]indolo[2,3-b]indole?
The InChIKey is ZFBNLDGVASLGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H39N3O/c1-4-16-44(17-5-1)63-54-27-12-10-23-51(54)59-47(24-15-28-57(59)63)41-32-30-40(31-33-41)42-34-36-55-52(38-42)60-53-39-43(48-25-14-26-50-49-22-11-13-29-58(49)66-61(48)50)35-37-56(53)65(46-20-8-3-9-21-46)62(60)64(55)45-18-6-2-7-19-45/h1-39H.
What are the key properties of 2-dibenzofuran-4-yl-5,6-diphenyl-9-[4-(9-phenylcarbazol-4-yl)phenyl]indolo[2,3-b]indole?
2-dibenzofuran-4-yl-5,6-diphenyl-9-[4-(9-phenylcarbazol-4-yl)phenyl]indolo[2,3-b]indole has a molecular weight of 842.01 g/mol, XLogP of 16.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-5,6-diphenyl-9-[4-(9-phenylcarbazol-4-yl)phenyl]indolo[2,3-b]indole is sourced from PubChem (CID 144596182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).