2-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole

C54H33N3O — CID 134223413

IUPAC2-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc4c(cc32)oc2ccc(-c3ccc5c(c3)c3cc6c7ccccc7n(-c7ccccc7)c6cc3n5-c3ccccc3)cc24)cc1
InChIInChI=1S/C54H33N3O/c1-4-14-36(15-5-1)55-47-22-12-10-20-39(47)42-30-44-41-28-34(24-26-49(41)57(51(44)32-50(42)55)38-18-8-3-9-19-38)35-25-27-53-45(29-35)46-31-43-40-21-11-13-23-48(40)56(37-16-6-2-7-17-37)52(43)33-54(46)58-53/h1-33H
InChIKeyFPKGWGIRIJISHP-UHFFFAOYSA-N
MW739.88 g/mol
LogP14.54
Rot. Bonds4

About 2-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole

2-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole (PubChem CID 134223413) has the molecular formula C54H33N3O and a molecular weight of 739.88 g/mol. Its IUPAC name is 2-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

Compound Name2-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
PubChem CID134223413
Molecular FormulaC54H33N3O
Molecular Weight739.88 g/mol
Exact Mass739.26
IUPAC Name2-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc4c(cc32)oc2ccc(-c3ccc5c(c3)c3cc6c7ccccc7n(-c7ccccc7)c6cc3n5-c3ccccc3)cc24)cc1
InChIInChI=1S/C54H33N3O/c1-4-14-36(15-5-1)55-47-22-12-10-20-39(47)42-30-44-41-28-34(24-26-49(41)57(51(44)32-50(42)55)38-18-8-3-9-19-38)35-25-27-53-45(29-35)46-31-43-40-21-11-13-23-48(40)56(37-16-6-2-7-17-37)52(43)33-54(46)58-53/h1-33H
InChIKeyFPKGWGIRIJISHP-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

7-phenyl-10-[4-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
CID 134223336
7-[4-(4-carbazol-9-ylphenyl)phenyl]-10-phenyl-[1]benzofuro[2,3-b]carbazole
CID 167192760
7-[4-(8-phenyldibenzofuran-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
CID 171612092
9-phenyl-3-[3-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-yl]phenyl]carbazole
CID 163732904
3-(8,15-dioxatetracyclo[14.4.0.02,7.09,14]icosa-1(20),2(7),3,5,9,11,13,16,18-nonaen-4-yl)-9-phenylcarbazole
CID 145223329
3-(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole
CID 59348276
7-phenyl-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-b]carbazole
CID 163573968
2-methyl-7-phenyl-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole
CID 134223454
7-phenyl-2-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole
CID 134223424
3,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594554
3-phenyl-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 89491924
3-[9-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)carbazol-2-yl]-9-phenylcarbazole
CID 135171606

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole?
The IUPAC name of 2-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole (CID 134223413) is 2-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole.
What is the SMILES notation for 2-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole?
The canonical SMILES for 2-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole is c1ccc(-n2c3ccccc3c3cc4c(cc32)oc2ccc(-c3ccc5c(c3)c3cc6c7ccccc7n(-c7ccccc7)c6cc3n5-c3ccccc3)cc24)cc1.
What is the InChIKey of 2-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole?
The InChIKey is FPKGWGIRIJISHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33N3O/c1-4-14-36(15-5-1)55-47-22-12-10-20-39(47)42-30-44-41-28-34(24-26-49(41)57(51(44)32-50(42)55)38-18-8-3-9-19-38)35-25-27-53-45(29-35)46-31-43-40-21-11-13-23-48(40)56(37-16-6-2-7-17-37)52(43)33-54(46)58-53/h1-33H.
What are the key properties of 2-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole?
2-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-7-phenyl-[1]benzofuro[2,3-b]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 2-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 134223413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).