2,10-bis[5-[(3-ethyloxetan-3-yl)methoxy]pentoxymethyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole

C48H59NO7 — CID 137418273

IUPAC2,10-bis[5-[(3-ethyloxetan-3-yl)methoxy]pentoxymethyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
SMILESCCC1(COCCCCCOCc2ccc3oc4cc5c(cc4c3c2)c2cc(COCCCCCOCC3(CC)COC3)ccc2n5-c2ccccc2)COC1
InChIInChI=1S/C48H59NO7/c1-3-47(32-54-33-47)30-52-22-12-6-10-20-50-28-36-16-18-43-39(24-36)40-26-42-41-25-37(29-51-21-11-7-13-23-53-31-48(4-2)34-55-35-48)17-19-45(41)56-46(42)27-44(40)49(43)38-14-8-5-9-15-38/h5,8-9,14-19,24-27H,3-4,6-7,10-13,20-23,28-35H2,1-2H3
InChIKeyBYLZNAMNCAVROB-UHFFFAOYSA-N
MW762.00 g/mol
LogP10.94
Rot. Bonds23

About 2,10-bis[5-[(3-ethyloxetan-3-yl)methoxy]pentoxymethyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole

2,10-bis[5-[(3-ethyloxetan-3-yl)methoxy]pentoxymethyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole (PubChem CID 137418273) has the molecular formula C48H59NO7 and a molecular weight of 762.00 g/mol. Its IUPAC name is 2,10-bis[5-[(3-ethyloxetan-3-yl)methoxy]pentoxymethyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

Compound Name2,10-bis[5-[(3-ethyloxetan-3-yl)methoxy]pentoxymethyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
PubChem CID137418273
Molecular FormulaC48H59NO7
Molecular Weight762.00 g/mol
Exact Mass761.43
IUPAC Name2,10-bis[5-[(3-ethyloxetan-3-yl)methoxy]pentoxymethyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
SMILESCCC1(COCCCCCOCc2ccc3oc4cc5c(cc4c3c2)c2cc(COCCCCCOCC3(CC)COC3)ccc2n5-c2ccccc2)COC1
InChIInChI=1S/C48H59NO7/c1-3-47(32-54-33-47)30-52-22-12-6-10-20-50-28-36-16-18-43-39(24-36)40-26-42-41-25-37(29-51-21-11-7-13-23-53-31-48(4-2)34-55-35-48)17-19-45(41)56-46(42)27-44(40)49(43)38-14-8-5-9-15-38/h5,8-9,14-19,24-27H,3-4,6-7,10-13,20-23,28-35H2,1-2H3
InChIKeyBYLZNAMNCAVROB-UHFFFAOYSA-N
XLogP10.94
TPSA73.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds23
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.00
LogP ≤ 510.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2,10-bis[5-[(3-ethyloxetan-3-yl)methoxy]pentoxymethyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole with MolForge

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Related Compounds

2,9-bis[5-[(3-ethyloxetan-3-yl)methoxy]pentoxymethyl]-5,12-diphenylindolo[3,2-c]carbazole
CID 137418059
12-(4,6-diphenylpyrimidin-2-yl)-2,9-bis[5-[(3-ethyloxetan-3-yl)methoxy]pentoxymethyl]-[1]benzofuro[3,2-a]carbazole
CID 137418183
3-ethyl-3-[5-[[4-[10-[9-[5-[(3-ethyloxetan-3-yl)methoxy]pentoxymethyl]naphtho[2,3-b][1]benzothiol-2-yl]anthracen-9-yl]phenyl]methoxy]pentoxymethyl]oxetane
CID 137418170
3-ethyl-3-[5-[[4-[4-[10-[4-[4-[4-[10-[4-[5-[(3-ethyloxetan-3-yl)methoxy]pentoxymethyl]phenyl]anthracen-9-yl]naphthalen-1-yl]phenoxy]phenyl]anthracen-9-yl]naphthalen-1-yl]phenyl]methoxy]pentoxymethyl]oxetane
CID 137418050
2-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134223413
4-[5-[(3-ethyloxetan-3-yl)methoxy]pentoxymethyl]-N-[4-[4-[4-[5-[(3-ethyloxetan-3-yl)methoxy]pentoxymethyl]-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 137418235
7-phenyl-10-[4-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
CID 134223336
3-ethyl-3-(octadecoxymethyl)oxetane
CID 22496628
3-[2-[(3-ethyloxetan-3-yl)methoxy]ethyl]-9-[3-[3-[5-[2-[(3-ethyloxetan-3-yl)methoxy]ethyl]-3-ethynyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]carbazole
CID 88559792
2-methyl-7-phenyl-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole
CID 134223454
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-ethyl-3-(4-methoxybutoxymethyl)oxetane;3-ethyl-3-(6-methoxyhexoxymethyl)oxetane;3-ethyl-3-(5-methoxypentoxymethyl)oxetane;3-ethyl-3-(3-methoxypropoxymethyl)oxetane
CID 157403854

Frequently Asked Questions

What is the IUPAC name of 2,10-bis[5-[(3-ethyloxetan-3-yl)methoxy]pentoxymethyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole?
The IUPAC name of 2,10-bis[5-[(3-ethyloxetan-3-yl)methoxy]pentoxymethyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole (CID 137418273) is 2,10-bis[5-[(3-ethyloxetan-3-yl)methoxy]pentoxymethyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole.
What is the SMILES notation for 2,10-bis[5-[(3-ethyloxetan-3-yl)methoxy]pentoxymethyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole?
The canonical SMILES for 2,10-bis[5-[(3-ethyloxetan-3-yl)methoxy]pentoxymethyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole is CCC1(COCCCCCOCc2ccc3oc4cc5c(cc4c3c2)c2cc(COCCCCCOCC3(CC)COC3)ccc2n5-c2ccccc2)COC1.
What is the InChIKey of 2,10-bis[5-[(3-ethyloxetan-3-yl)methoxy]pentoxymethyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole?
The InChIKey is BYLZNAMNCAVROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H59NO7/c1-3-47(32-54-33-47)30-52-22-12-6-10-20-50-28-36-16-18-43-39(24-36)40-26-42-41-25-37(29-51-21-11-7-13-23-53-31-48(4-2)34-55-35-48)17-19-45(41)56-46(42)27-44(40)49(43)38-14-8-5-9-15-38/h5,8-9,14-19,24-27H,3-4,6-7,10-13,20-23,28-35H2,1-2H3.
What are the key properties of 2,10-bis[5-[(3-ethyloxetan-3-yl)methoxy]pentoxymethyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole?
2,10-bis[5-[(3-ethyloxetan-3-yl)methoxy]pentoxymethyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole has a molecular weight of 762.00 g/mol, XLogP of 10.94, 23 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10-bis[5-[(3-ethyloxetan-3-yl)methoxy]pentoxymethyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 137418273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).