5-(9-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole

C54H33N3O — CID 126656557

IUPAC5-(9-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cc5c6ccccc6oc5c5c6ccccc6n(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)c45)ccc32)cc1
InChIInChI=1S/C54H33N3O/c1-3-15-35(16-4-1)55-47-24-12-8-20-39(47)44-31-34(27-30-49(44)55)43-33-45-41-21-10-14-26-51(41)58-54(45)52-42-22-9-13-25-48(42)57(53(43)52)37-28-29-40-38-19-7-11-23-46(38)56(50(40)32-37)36-17-5-2-6-18-36/h1-33H
InChIKeyKLMCKXXKUBWGPW-UHFFFAOYSA-N
MW739.88 g/mol
LogP14.54
Rot. Bonds4

About 5-(9-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole

5-(9-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole (PubChem CID 126656557) has the molecular formula C54H33N3O and a molecular weight of 739.88 g/mol. Its IUPAC name is 5-(9-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name5-(9-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole
PubChem CID126656557
Molecular FormulaC54H33N3O
Molecular Weight739.88 g/mol
Exact Mass739.26
IUPAC Name5-(9-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cc5c6ccccc6oc5c5c6ccccc6n(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)c45)ccc32)cc1
InChIInChI=1S/C54H33N3O/c1-3-15-35(16-4-1)55-47-24-12-8-20-39(47)44-31-34(27-30-49(44)55)43-33-45-41-21-10-14-26-51(41)58-54(45)52-42-22-9-13-25-48(42)57(53(43)52)37-28-29-40-38-19-7-11-23-46(38)56(50(40)32-37)36-17-5-2-6-18-36/h1-33H
InChIKeyKLMCKXXKUBWGPW-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

5-(4-carbazol-9-ylphenyl)-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole
CID 134252605
5-naphthalen-2-yl-6-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 134252386
5-(9,9-dimethylfluoren-2-yl)-6-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 126656421
6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole
CID 134252675
12-phenyl-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-a]carbazole
CID 134530399
12-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzofuro[3,2-a]carbazole
CID 134530401
12-phenyl-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole
CID 134530273
9-carbazol-9-yl-5,12-diphenylindolo[3,2-c]carbazole;5-(4-carbazol-9-ylphenyl)-12-phenylindolo[3,2-c]carbazole;9-dibenzofuran-4-yl-5,12-diphenylindolo[3,2-c]carbazole;5,12-diphenyl-9-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole
CID 162123659
3-dibenzofuran-4-yl-9-(9-phenylcarbazol-3-yl)carbazole
CID 170132775
5-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 167193138
N,4-diphenyl-N-[4-[4-(5-phenyl-[1]benzofuro[3,2-c]carbazol-6-yl)phenyl]phenyl]aniline
CID 134252450
27-(9-phenylcarbazol-3-yl)-9,18-dioxa-27-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25-dodecaene
CID 149129476

Frequently Asked Questions

What is the IUPAC name of 5-(9-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 5-(9-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole (CID 126656557) is 5-(9-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 5-(9-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 5-(9-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole is c1ccc(-n2c3ccccc3c3cc(-c4cc5c6ccccc6oc5c5c6ccccc6n(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)c45)ccc32)cc1.
What is the InChIKey of 5-(9-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole?
The InChIKey is KLMCKXXKUBWGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33N3O/c1-3-15-35(16-4-1)55-47-24-12-8-20-39(47)44-31-34(27-30-49(44)55)43-33-45-41-21-10-14-26-51(41)58-54(45)52-42-22-9-13-25-48(42)57(53(43)52)37-28-29-40-38-19-7-11-23-46(38)56(50(40)32-37)36-17-5-2-6-18-36/h1-33H.
What are the key properties of 5-(9-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole?
5-(9-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[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-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 126656557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).