7-[4-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole

C53H37N3O — CID 165169056

IUPAC7-[4-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole
SMILESCC1(C)c2ccccc2N(c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3cccc4c5c6ccccc6oc5n(-c5ccccc5)c34)cc2)c2ccccc21
InChIInChI=1S/C53H37N3O/c1-53(2)43-21-8-11-24-47(43)55(48-25-12-9-22-44(48)53)37-31-32-46-42(33-37)39-17-6-10-23-45(39)54(46)36-29-27-34(28-30-36)38-19-14-20-41-50-40-18-7-13-26-49(40)57-52(50)56(51(38)41)35-15-4-3-5-16-35/h3-33H,1-2H3
InChIKeyMITXJPWQAOEKRH-UHFFFAOYSA-N
MW731.90 g/mol
LogP14.40
Rot. Bonds4

About 7-[4-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole

7-[4-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole (PubChem CID 165169056) has the molecular formula C53H37N3O and a molecular weight of 731.90 g/mol. Its IUPAC name is 7-[4-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole.

Molecular Properties

Compound Name7-[4-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole
PubChem CID165169056
Molecular FormulaC53H37N3O
Molecular Weight731.90 g/mol
Exact Mass731.29
IUPAC Name7-[4-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole
SMILESCC1(C)c2ccccc2N(c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3cccc4c5c6ccccc6oc5n(-c5ccccc5)c34)cc2)c2ccccc21
InChIInChI=1S/C53H37N3O/c1-53(2)43-21-8-11-24-47(43)55(48-25-12-9-22-44(48)53)37-31-32-46-42(33-37)39-17-6-10-23-45(39)54(46)36-29-27-34(28-30-36)38-19-14-20-41-50-40-18-7-13-26-49(40)57-52(50)56(51(38)41)35-15-4-3-5-16-35/h3-33H,1-2H3
InChIKeyMITXJPWQAOEKRH-UHFFFAOYSA-N
XLogP14.40
TPSA26.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.90
LogP ≤ 514.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-[4-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole with MolForge

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Related Compounds

7-[4-(3-carbazol-9-ylphenyl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole
CID 165168843
7-[3-[3-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole
CID 165168826
10,10,21,21-tetramethyl-14-(9-phenylcarbazol-3-yl)-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 130450658
6-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-b]indole
CID 165168869
3-[4-(3-phenoxazin-10-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole
CID 165168936
8-(7-carbazol-9-yl-10-phenylspiro[acridine-9,9'-fluorene]-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole
CID 165168696
2-[8-[9-(4-dibenzofuran-1-ylphenyl)carbazol-3-yl]dibenzofuran-1-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 134516211
3-[4-(9,9-dimethylfluoren-3-yl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 170681246
6-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-b]indole
CID 165169108
3-[4-(3-phenoxazin-10-ylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 164795331
1-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole
CID 165169102
7,7-dimethyl-5-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indeno[2,1-b]carbazole
CID 134498087

Frequently Asked Questions

What is the IUPAC name of 7-[4-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole?
The IUPAC name of 7-[4-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole (CID 165169056) is 7-[4-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole.
What is the SMILES notation for 7-[4-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole?
The canonical SMILES for 7-[4-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole is CC1(C)c2ccccc2N(c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3cccc4c5c6ccccc6oc5n(-c5ccccc5)c34)cc2)c2ccccc21.
What is the InChIKey of 7-[4-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole?
The InChIKey is MITXJPWQAOEKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H37N3O/c1-53(2)43-21-8-11-24-47(43)55(48-25-12-9-22-44(48)53)37-31-32-46-42(33-37)39-17-6-10-23-45(39)54(46)36-29-27-34(28-30-36)38-19-14-20-41-50-40-18-7-13-26-49(40)57-52(50)56(51(38)41)35-15-4-3-5-16-35/h3-33H,1-2H3.
What are the key properties of 7-[4-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole?
7-[4-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole has a molecular weight of 731.90 g/mol, XLogP of 14.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole is sourced from PubChem (CID 165169056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).