7-(4-benzylphenyl)-10-[(1Z,12E)-11-methylidene-10-phenyl-14-oxa-10-azatetracyclo[11.7.0.04,9.015,20]icosa-1,4(9),5,7,12,15,17,19-octaen-6-yl]-[1]benzofuro[2,3-b]carbazole

C56H38N2O2 — CID 145141016

IUPAC7-(4-benzylphenyl)-10-[(1Z,12E)-11-methylidene-10-phenyl-14-oxa-10-azatetracyclo[11.7.0.04,9.015,20]icosa-1,4(9),5,7,12,15,17,19-octaen-6-yl]-[1]benzofuro[2,3-b]carbazole
SMILESC=C1/C=c2/oc3ccccc3/c2=C/Cc2cc(-c3ccc4c(c3)c3cc5c(cc3n4-c3ccc(Cc4ccccc4)cc3)oc3ccccc35)ccc2N1c1ccccc1
InChIInChI=1S/C56H38N2O2/c1-36-30-55-46(44-16-8-10-18-53(44)59-55)27-22-41-32-39(23-28-50(41)57(36)42-14-6-3-7-15-42)40-24-29-51-47(33-40)48-34-49-45-17-9-11-19-54(45)60-56(49)35-52(48)58(51)43-25-20-38(21-26-43)31-37-12-4-2-5-13-37/h2-21,23-30,32-35H,1,22,31H2/b46-27-,55-30+
InChIKeyDOLJGQPKDXWGHI-RGVLUSAOSA-N
MW770.93 g/mol
LogP13.16
Rot. Bonds5

About 7-(4-benzylphenyl)-10-[(1Z,12E)-11-methylidene-10-phenyl-14-oxa-10-azatetracyclo[11.7.0.04,9.015,20]icosa-1,4(9),5,7,12,15,17,19-octaen-6-yl]-[1]benzofuro[2,3-b]carbazole

7-(4-benzylphenyl)-10-[(1Z,12E)-11-methylidene-10-phenyl-14-oxa-10-azatetracyclo[11.7.0.04,9.015,20]icosa-1,4(9),5,7,12,15,17,19-octaen-6-yl]-[1]benzofuro[2,3-b]carbazole (PubChem CID 145141016) has the molecular formula C56H38N2O2 and a molecular weight of 770.93 g/mol. Its IUPAC name is 7-(4-benzylphenyl)-10-[(1Z,12E)-11-methylidene-10-phenyl-14-oxa-10-azatetracyclo[11.7.0.04,9.015,20]icosa-1,4(9),5,7,12,15,17,19-octaen-6-yl]-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

Compound Name7-(4-benzylphenyl)-10-[(1Z,12E)-11-methylidene-10-phenyl-14-oxa-10-azatetracyclo[11.7.0.04,9.015,20]icosa-1,4(9),5,7,12,15,17,19-octaen-6-yl]-[1]benzofuro[2,3-b]carbazole
PubChem CID145141016
Molecular FormulaC56H38N2O2
Molecular Weight770.93 g/mol
Exact Mass770.29
IUPAC Name7-(4-benzylphenyl)-10-[(1Z,12E)-11-methylidene-10-phenyl-14-oxa-10-azatetracyclo[11.7.0.04,9.015,20]icosa-1,4(9),5,7,12,15,17,19-octaen-6-yl]-[1]benzofuro[2,3-b]carbazole
SMILESC=C1/C=c2/oc3ccccc3/c2=C/Cc2cc(-c3ccc4c(c3)c3cc5c(cc3n4-c3ccc(Cc4ccccc4)cc3)oc3ccccc35)ccc2N1c1ccccc1
InChIInChI=1S/C56H38N2O2/c1-36-30-55-46(44-16-8-10-18-53(44)59-55)27-22-41-32-39(23-28-50(41)57(36)42-14-6-3-7-15-42)40-24-29-51-47(33-40)48-34-49-45-17-9-11-19-54(45)60-56(49)35-52(48)58(51)43-25-20-38(21-26-43)31-37-12-4-2-5-13-37/h2-21,23-30,32-35H,1,22,31H2/b46-27-,55-30+
InChIKeyDOLJGQPKDXWGHI-RGVLUSAOSA-N
XLogP13.16
TPSA34.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.93
LogP ≤ 513.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-(4-benzylphenyl)-10-[(1Z,12E)-11-methylidene-10-phenyl-14-oxa-10-azatetracyclo[11.7.0.04,9.015,20]icosa-1,4(9),5,7,12,15,17,19-octaen-6-yl]-[1]benzofuro[2,3-b]carbazole with MolForge

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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
2-[7-(3-benzylphenyl)-[1]benzofuro[2,3-b]carbazol-9-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 145140998
7-[4-(4-carbazol-9-ylphenyl)phenyl]-10-phenyl-[1]benzofuro[2,3-b]carbazole
CID 167192760
2-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134223413
2-methyl-7-phenyl-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole
CID 134223454
7-[4-(8-phenyldibenzofuran-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
CID 171612092
3-benzyl-6-(6-benzyl-9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-benzyl-6-(6-benzyl-9-dibenzofuran-3-ylcarbazol-3-yl)-9-phenylcarbazole;3-benzyl-6-(6-benzyl-9-dibenzofuran-4-ylcarbazol-3-yl)-9-phenylcarbazole
CID 162234095
16-phenyl-20-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-12-oxa-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene
CID 134223333
3-[9-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-7-yl)carbazol-3-yl]-9-phenylcarbazole
CID 142497222
7-naphthalen-2-yl-2-(9-phenylcarbazol-3-yl)-5-(4-phenylphenyl)indolo[2,3-b]carbazole;2-(9-phenylcarbazol-3-yl)-5,7-bis(4-phenylphenyl)indolo[2,3-b]carbazole;10-(9-phenylcarbazol-3-yl)-7-(4-phenylphenyl)-[1]benzofuro[2,3-b]carbazole
CID 158696933
7-fluoranthen-3-yl-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole
CID 134223614
3-(8-dibenzofuran-2-yldibenzofuran-2-yl)-6,9-diphenylcarbazole
CID 71278016

Frequently Asked Questions

What is the IUPAC name of 7-(4-benzylphenyl)-10-[(1Z,12E)-11-methylidene-10-phenyl-14-oxa-10-azatetracyclo[11.7.0.04,9.015,20]icosa-1,4(9),5,7,12,15,17,19-octaen-6-yl]-[1]benzofuro[2,3-b]carbazole?
The IUPAC name of 7-(4-benzylphenyl)-10-[(1Z,12E)-11-methylidene-10-phenyl-14-oxa-10-azatetracyclo[11.7.0.04,9.015,20]icosa-1,4(9),5,7,12,15,17,19-octaen-6-yl]-[1]benzofuro[2,3-b]carbazole (CID 145141016) is 7-(4-benzylphenyl)-10-[(1Z,12E)-11-methylidene-10-phenyl-14-oxa-10-azatetracyclo[11.7.0.04,9.015,20]icosa-1,4(9),5,7,12,15,17,19-octaen-6-yl]-[1]benzofuro[2,3-b]carbazole.
What is the SMILES notation for 7-(4-benzylphenyl)-10-[(1Z,12E)-11-methylidene-10-phenyl-14-oxa-10-azatetracyclo[11.7.0.04,9.015,20]icosa-1,4(9),5,7,12,15,17,19-octaen-6-yl]-[1]benzofuro[2,3-b]carbazole?
The canonical SMILES for 7-(4-benzylphenyl)-10-[(1Z,12E)-11-methylidene-10-phenyl-14-oxa-10-azatetracyclo[11.7.0.04,9.015,20]icosa-1,4(9),5,7,12,15,17,19-octaen-6-yl]-[1]benzofuro[2,3-b]carbazole is C=C1/C=c2/oc3ccccc3/c2=C/Cc2cc(-c3ccc4c(c3)c3cc5c(cc3n4-c3ccc(Cc4ccccc4)cc3)oc3ccccc35)ccc2N1c1ccccc1.
What is the InChIKey of 7-(4-benzylphenyl)-10-[(1Z,12E)-11-methylidene-10-phenyl-14-oxa-10-azatetracyclo[11.7.0.04,9.015,20]icosa-1,4(9),5,7,12,15,17,19-octaen-6-yl]-[1]benzofuro[2,3-b]carbazole?
The InChIKey is DOLJGQPKDXWGHI-RGVLUSAOSA-N. The full InChI is InChI=1S/C56H38N2O2/c1-36-30-55-46(44-16-8-10-18-53(44)59-55)27-22-41-32-39(23-28-50(41)57(36)42-14-6-3-7-15-42)40-24-29-51-47(33-40)48-34-49-45-17-9-11-19-54(45)60-56(49)35-52(48)58(51)43-25-20-38(21-26-43)31-37-12-4-2-5-13-37/h2-21,23-30,32-35H,1,22,31H2/b46-27-,55-30+.
What are the key properties of 7-(4-benzylphenyl)-10-[(1Z,12E)-11-methylidene-10-phenyl-14-oxa-10-azatetracyclo[11.7.0.04,9.015,20]icosa-1,4(9),5,7,12,15,17,19-octaen-6-yl]-[1]benzofuro[2,3-b]carbazole?
7-(4-benzylphenyl)-10-[(1Z,12E)-11-methylidene-10-phenyl-14-oxa-10-azatetracyclo[11.7.0.04,9.015,20]icosa-1,4(9),5,7,12,15,17,19-octaen-6-yl]-[1]benzofuro[2,3-b]carbazole has a molecular weight of 770.93 g/mol, XLogP of 13.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-benzylphenyl)-10-[(1Z,12E)-11-methylidene-10-phenyl-14-oxa-10-azatetracyclo[11.7.0.04,9.015,20]icosa-1,4(9),5,7,12,15,17,19-octaen-6-yl]-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 145141016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).