11-[4-[1,1-bis[4-[11-(6-but-2-ynoxynaphthalen-2-yl)benzo[b]fluoren-11-yl]phenyl]ethyl]phenyl]-11-(6-but-2-ynoxynaphthalen-2-yl)benzo[b]fluorene

C113H78O3 — CID 153299426

IUPAC11-[4-[1,1-bis[4-[11-(6-but-2-ynoxynaphthalen-2-yl)benzo[b]fluoren-11-yl]phenyl]ethyl]phenyl]-11-(6-but-2-ynoxynaphthalen-2-yl)benzo[b]fluorene
SMILESCC#CCOc1ccc2cc(C3(c4ccc(C(C)(c5ccc(C6(c7ccc8cc(OCC#CC)ccc8c7)c7ccccc7-c7cc8ccccc8cc76)cc5)c5ccc(C6(c7ccc8cc(OCC#CC)ccc8c7)c7ccccc7-c7cc8ccccc8cc76)cc5)cc4)c4ccccc4-c4cc5ccccc5cc43)ccc2c1
InChIInChI=1S/C113H78O3/c1-5-8-59-114-95-56-38-80-62-92(41-35-83(80)65-95)111(104-32-20-17-29-98(104)101-68-74-23-11-14-26-77(74)71-107(101)111)89-50-44-86(45-51-89)110(4,87-46-52-90(53-47-87)112(93-42-36-84-66-96(115-60-9-6-2)57-39-81(84)63-93)105-33-21-18-30-99(105)102-69-75-24-12-15-27-78(75)72-108(102)112)88-48-54-91(55-49-88)113(94-43-37-85-67-97(116-61-10-7-3)58-40-82(85)64-94)106-34-22-19-31-100(106)103-70-76-25-13-16-28-79(76)73-109(103)113/h11-58,62-73H,59-61H2,1-4H3
InChIKeyWAFIYZHJRVDSHX-UHFFFAOYSA-N
MW1483.86 g/mol
LogP26.26
Rot. Bonds15

About 11-[4-[1,1-bis[4-[11-(6-but-2-ynoxynaphthalen-2-yl)benzo[b]fluoren-11-yl]phenyl]ethyl]phenyl]-11-(6-but-2-ynoxynaphthalen-2-yl)benzo[b]fluorene

11-[4-[1,1-bis[4-[11-(6-but-2-ynoxynaphthalen-2-yl)benzo[b]fluoren-11-yl]phenyl]ethyl]phenyl]-11-(6-but-2-ynoxynaphthalen-2-yl)benzo[b]fluorene (PubChem CID 153299426) has the molecular formula C113H78O3 and a molecular weight of 1483.86 g/mol. Its IUPAC name is 11-[4-[1,1-bis[4-[11-(6-but-2-ynoxynaphthalen-2-yl)benzo[b]fluoren-11-yl]phenyl]ethyl]phenyl]-11-(6-but-2-ynoxynaphthalen-2-yl)benzo[b]fluorene.

Molecular Properties

Compound Name11-[4-[1,1-bis[4-[11-(6-but-2-ynoxynaphthalen-2-yl)benzo[b]fluoren-11-yl]phenyl]ethyl]phenyl]-11-(6-but-2-ynoxynaphthalen-2-yl)benzo[b]fluorene
PubChem CID153299426
Molecular FormulaC113H78O3
Molecular Weight1483.86 g/mol
Exact Mass1482.60
IUPAC Name11-[4-[1,1-bis[4-[11-(6-but-2-ynoxynaphthalen-2-yl)benzo[b]fluoren-11-yl]phenyl]ethyl]phenyl]-11-(6-but-2-ynoxynaphthalen-2-yl)benzo[b]fluorene
SMILESCC#CCOc1ccc2cc(C3(c4ccc(C(C)(c5ccc(C6(c7ccc8cc(OCC#CC)ccc8c7)c7ccccc7-c7cc8ccccc8cc76)cc5)c5ccc(C6(c7ccc8cc(OCC#CC)ccc8c7)c7ccccc7-c7cc8ccccc8cc76)cc5)cc4)c4ccccc4-c4cc5ccccc5cc43)ccc2c1
InChIInChI=1S/C113H78O3/c1-5-8-59-114-95-56-38-80-62-92(41-35-83(80)65-95)111(104-32-20-17-29-98(104)101-68-74-23-11-14-26-77(74)71-107(101)111)89-50-44-86(45-51-89)110(4,87-46-52-90(53-47-87)112(93-42-36-84-66-96(115-60-9-6-2)57-39-81(84)63-93)105-33-21-18-30-99(105)102-69-75-24-12-15-27-78(75)72-108(102)112)88-48-54-91(55-49-88)113(94-43-37-85-67-97(116-61-10-7-3)58-40-82(85)64-94)106-34-22-19-31-100(106)103-70-76-25-13-16-28-79(76)73-109(103)113/h11-58,62-73H,59-61H2,1-4H3
InChIKeyWAFIYZHJRVDSHX-UHFFFAOYSA-N
XLogP26.26
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms116
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001483.86
LogP ≤ 526.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 11-[4-[1,1-bis[4-[11-(6-but-2-ynoxynaphthalen-2-yl)benzo[b]fluoren-11-yl]phenyl]ethyl]phenyl]-11-(6-but-2-ynoxynaphthalen-2-yl)benzo[b]fluorene with MolForge

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Related Compounds

5-[4-[1,1-bis[4-[5-(6-but-2-ynoxynaphthalen-2-yl)indeno[1,2-c]pyridin-5-yl]phenyl]ethyl]phenyl]-5-(6-but-2-ynoxynaphthalen-2-yl)indeno[1,2-c]pyridine
CID 153299364
5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[4-[5-(6-but-2-ynoxynaphthalen-2-yl)indeno[1,2-c]pyridin-5-yl]phenoxy]phenyl]indeno[1,2-c]pyridine
CID 153299420
2-(6-but-2-ynoxynaphthalen-2-yl)-2-[4-[[4-[2-(6-but-2-ynoxynaphthalen-2-yl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl]phenyl]methyl]phenyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
CID 153299356
2-(6-but-2-ynoxynaphthalen-2-yl)-2-[4-[4-[2-(6-but-2-ynoxynaphthalen-2-yl)-9-oxo-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl]phenyl]sulfanylphenyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-9-one
CID 153299415
5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[2-[4-[5-(6-but-2-ynoxynaphthalen-2-yl)-10H-benzo[g]isoquinolin-5-yl]phenyl]propan-2-yl]phenyl]-10H-benzo[g]isoquinoline
CID 153299447
9-(6-but-2-ynoxynaphthalen-2-yl)-9-[4-[4-[9-(6-but-2-ynoxynaphthalen-2-yl)xanthen-9-yl]phenyl]sulfanylphenyl]xanthene
CID 153299422
9-(6-but-2-ynoxynaphthalen-2-yl)-9-[4-[4-[9-(6-but-2-ynoxynaphthalen-2-yl)-10,10-dioxothioxanthen-9-yl]phenoxy]phenyl]thioxanthene 10,10-dioxide
CID 153299477
9,9-bis(6-ethoxynaphthalen-2-yl)fluorene
CID 166857178
2-[7-(6-but-2-ynoxynaphthalen-2-yl)benzo[c]fluoren-7-yl]-5-[tris[5-[7-(6-but-2-ynoxynaphthalen-2-yl)benzo[c]fluoren-7-yl]thiophen-2-yl]methyl]thiophene
CID 153299395
8-(6-but-2-ynoxynaphthalen-2-yl)-8-[4-[[4-[8-(6-but-2-ynoxynaphthalen-2-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]phenyl]methyl]phenyl]-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 153299475
4-[9-(6-but-2-ynoxynaphthalen-2-yl)-10,10-dioxothioxanthen-9-yl]-N,N-bis[4-[9-(6-but-2-ynoxynaphthalen-2-yl)-10,10-dioxothioxanthen-9-yl]phenyl]aniline
CID 153299495
5-[7-(6-but-2-ynoxynaphthalen-2-yl)benzo[c]fluoren-7-yl]-N,N-bis[5-[7-(6-but-2-ynoxynaphthalen-2-yl)benzo[c]fluoren-7-yl]thiophen-2-yl]thiophen-2-amine
CID 153299335

Frequently Asked Questions

What is the IUPAC name of 11-[4-[1,1-bis[4-[11-(6-but-2-ynoxynaphthalen-2-yl)benzo[b]fluoren-11-yl]phenyl]ethyl]phenyl]-11-(6-but-2-ynoxynaphthalen-2-yl)benzo[b]fluorene?
The IUPAC name of 11-[4-[1,1-bis[4-[11-(6-but-2-ynoxynaphthalen-2-yl)benzo[b]fluoren-11-yl]phenyl]ethyl]phenyl]-11-(6-but-2-ynoxynaphthalen-2-yl)benzo[b]fluorene (CID 153299426) is 11-[4-[1,1-bis[4-[11-(6-but-2-ynoxynaphthalen-2-yl)benzo[b]fluoren-11-yl]phenyl]ethyl]phenyl]-11-(6-but-2-ynoxynaphthalen-2-yl)benzo[b]fluorene.
What is the SMILES notation for 11-[4-[1,1-bis[4-[11-(6-but-2-ynoxynaphthalen-2-yl)benzo[b]fluoren-11-yl]phenyl]ethyl]phenyl]-11-(6-but-2-ynoxynaphthalen-2-yl)benzo[b]fluorene?
The canonical SMILES for 11-[4-[1,1-bis[4-[11-(6-but-2-ynoxynaphthalen-2-yl)benzo[b]fluoren-11-yl]phenyl]ethyl]phenyl]-11-(6-but-2-ynoxynaphthalen-2-yl)benzo[b]fluorene is CC#CCOc1ccc2cc(C3(c4ccc(C(C)(c5ccc(C6(c7ccc8cc(OCC#CC)ccc8c7)c7ccccc7-c7cc8ccccc8cc76)cc5)c5ccc(C6(c7ccc8cc(OCC#CC)ccc8c7)c7ccccc7-c7cc8ccccc8cc76)cc5)cc4)c4ccccc4-c4cc5ccccc5cc43)ccc2c1.
What is the InChIKey of 11-[4-[1,1-bis[4-[11-(6-but-2-ynoxynaphthalen-2-yl)benzo[b]fluoren-11-yl]phenyl]ethyl]phenyl]-11-(6-but-2-ynoxynaphthalen-2-yl)benzo[b]fluorene?
The InChIKey is WAFIYZHJRVDSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C113H78O3/c1-5-8-59-114-95-56-38-80-62-92(41-35-83(80)65-95)111(104-32-20-17-29-98(104)101-68-74-23-11-14-26-77(74)71-107(101)111)89-50-44-86(45-51-89)110(4,87-46-52-90(53-47-87)112(93-42-36-84-66-96(115-60-9-6-2)57-39-81(84)63-93)105-33-21-18-30-99(105)102-69-75-24-12-15-27-78(75)72-108(102)112)88-48-54-91(55-49-88)113(94-43-37-85-67-97(116-61-10-7-3)58-40-82(85)64-94)106-34-22-19-31-100(106)103-70-76-25-13-16-28-79(76)73-109(103)113/h11-58,62-73H,59-61H2,1-4H3.
What are the key properties of 11-[4-[1,1-bis[4-[11-(6-but-2-ynoxynaphthalen-2-yl)benzo[b]fluoren-11-yl]phenyl]ethyl]phenyl]-11-(6-but-2-ynoxynaphthalen-2-yl)benzo[b]fluorene?
11-[4-[1,1-bis[4-[11-(6-but-2-ynoxynaphthalen-2-yl)benzo[b]fluoren-11-yl]phenyl]ethyl]phenyl]-11-(6-but-2-ynoxynaphthalen-2-yl)benzo[b]fluorene has a molecular weight of 1483.86 g/mol, XLogP of 26.26, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[4-[1,1-bis[4-[11-(6-but-2-ynoxynaphthalen-2-yl)benzo[b]fluoren-11-yl]phenyl]ethyl]phenyl]-11-(6-but-2-ynoxynaphthalen-2-yl)benzo[b]fluorene is sourced from PubChem (CID 153299426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).