2-[bis[5-[9-(6-but-2-ynoxynaphthalen-2-yl)fluoren-9-yl]-2-pyridinyl]methyl]-5-[9-(6-but-2-ynoxynaphthalen-2-yl)fluoren-9-yl]pyridine

C97H67N3O3 — CID 153299330

IUPAC2-[bis[5-[9-(6-but-2-ynoxynaphthalen-2-yl)fluoren-9-yl]-2-pyridinyl]methyl]-5-[9-(6-but-2-ynoxynaphthalen-2-yl)fluoren-9-yl]pyridine
SMILESCC#CCOc1ccc2cc(C3(c4ccc(C(c5ccc(C6(c7ccc8cc(OCC#CC)ccc8c7)c7ccccc7-c7ccccc76)cn5)c5ccc(C6(c7ccc8cc(OCC#CC)ccc8c7)c7ccccc7-c7ccccc76)cn5)nc4)c4ccccc4-c4ccccc43)ccc2c1
InChIInChI=1S/C97H67N3O3/c1-4-7-52-101-76-46-37-64-55-70(40-34-67(64)58-76)95(85-28-16-10-22-79(85)80-23-11-17-29-86(80)95)73-43-49-91(98-61-73)94(92-50-44-74(62-99-92)96(87-30-18-12-24-81(87)82-25-13-19-31-88(82)96)71-41-35-68-59-77(102-53-8-5-2)47-38-65(68)56-71)93-51-45-75(63-100-93)97(89-32-20-14-26-83(89)84-27-15-21-33-90(84)97)72-42-36-69-60-78(103-54-9-6-3)48-39-66(69)57-72/h10-51,55-63,94H,52-54H2,1-3H3
InChIKeyVUUKDRQANUYXBC-UHFFFAOYSA-N
MW1322.62 g/mol
LogP20.81
Rot. Bonds15

About 2-[bis[5-[9-(6-but-2-ynoxynaphthalen-2-yl)fluoren-9-yl]-2-pyridinyl]methyl]-5-[9-(6-but-2-ynoxynaphthalen-2-yl)fluoren-9-yl]pyridine

2-[bis[5-[9-(6-but-2-ynoxynaphthalen-2-yl)fluoren-9-yl]-2-pyridinyl]methyl]-5-[9-(6-but-2-ynoxynaphthalen-2-yl)fluoren-9-yl]pyridine (PubChem CID 153299330) has the molecular formula C97H67N3O3 and a molecular weight of 1322.62 g/mol. Its IUPAC name is 2-[bis[5-[9-(6-but-2-ynoxynaphthalen-2-yl)fluoren-9-yl]-2-pyridinyl]methyl]-5-[9-(6-but-2-ynoxynaphthalen-2-yl)fluoren-9-yl]pyridine.

Molecular Properties

Compound Name2-[bis[5-[9-(6-but-2-ynoxynaphthalen-2-yl)fluoren-9-yl]-2-pyridinyl]methyl]-5-[9-(6-but-2-ynoxynaphthalen-2-yl)fluoren-9-yl]pyridine
PubChem CID153299330
Molecular FormulaC97H67N3O3
Molecular Weight1322.62 g/mol
Exact Mass1321.52
IUPAC Name2-[bis[5-[9-(6-but-2-ynoxynaphthalen-2-yl)fluoren-9-yl]-2-pyridinyl]methyl]-5-[9-(6-but-2-ynoxynaphthalen-2-yl)fluoren-9-yl]pyridine
SMILESCC#CCOc1ccc2cc(C3(c4ccc(C(c5ccc(C6(c7ccc8cc(OCC#CC)ccc8c7)c7ccccc7-c7ccccc76)cn5)c5ccc(C6(c7ccc8cc(OCC#CC)ccc8c7)c7ccccc7-c7ccccc76)cn5)nc4)c4ccccc4-c4ccccc43)ccc2c1
InChIInChI=1S/C97H67N3O3/c1-4-7-52-101-76-46-37-64-55-70(40-34-67(64)58-76)95(85-28-16-10-22-79(85)80-23-11-17-29-86(80)95)73-43-49-91(98-61-73)94(92-50-44-74(62-99-92)96(87-30-18-12-24-81(87)82-25-13-19-31-88(82)96)71-41-35-68-59-77(102-53-8-5-2)47-38-65(68)56-71)93-51-45-75(63-100-93)97(89-32-20-14-26-83(89)84-27-15-21-33-90(84)97)72-42-36-69-60-78(103-54-9-6-3)48-39-66(69)57-72/h10-51,55-63,94H,52-54H2,1-3H3
InChIKeyVUUKDRQANUYXBC-UHFFFAOYSA-N
XLogP20.81
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms103
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001322.62
LogP ≤ 520.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[bis[5-[9-(6-but-2-ynoxynaphthalen-2-yl)fluoren-9-yl]-2-pyridinyl]methyl]-5-[9-(6-but-2-ynoxynaphthalen-2-yl)fluoren-9-yl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6,6'-(5,5'-Bis(benzyloxy)-4,4'-di-tert-butyl-[1,1'-biphenyl]-2,2'-diyl)bis(3-fluoropyridine)
CID 155908908
1-[(4-Fluorophenyl)methyl]-3-methyl-6-[5-phenylmethoxy-2-(pyridin-4-ylmethyl)-1,3-dihydroinden-2-yl]indole
CID 57026364
1-[4-[3-[16,19,19,22,22,25,25,28-Octamethyl-16,28-bis(trifluoromethyl)-13-undecacyclo[21.18.0.02,21.05,20.06,18.09,17.010,15.024,39.026,38.027,35.029,34]hentetraconta-1(23),2(21),3,5(20),6(18),7,9(17),10(15),11,13,24(39),26(38),27(35),29,31,33,36,40-octadecaenyl]-5-[16,19,22,25,28-pentamethyl-16,19,22,25,28-pentakis(trifluoromethyl)-13-undecacyclo[21.18.0.02,21.05,20.06,18.09,17.010,15.024,39.026,38.027,35.029,34]hentetraconta-1(23),2(21),3,5(20),6(18),7,9(17),10(15),11,13,24(39),26(38),27(35),29,31,33,36,40-octadecaenyl]phenoxy]phenyl]isoquinoline
CID 59512910
1-[4-[3,5-Bis[9-methyl-7-[9-methyl-7-[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]phenoxy]benzene-6-id-1-yl]isoquinoline;iridium
CID 59512965
CID 89018954
CID 89018954
3-Butyl-9,9-diethyl-14-fluoro-10-[2-[4-methoxy-2-(1-methylpyridin-1-ium-2-yl)phenyl]ethyl]-19,19-dimethyl-8-azoniapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8(17),11(16),12,14-octaene
CID 123278336
4-Butyl-9,9-diethyl-14-fluoro-10-[4-methoxy-2-(1-methylpyridin-1-ium-2-yl)phenyl]-19,19-dimethyl-8-azoniapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8(17),11(16),12,14-octaene
CID 123334442
4-Butyl-9,9-diethyl-14-fluoro-10-[2-[4-methoxy-2-(1-methylpyridin-1-ium-2-yl)phenyl]ethyl]-19,19-dimethyl-8-azoniapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8(17),11(16),12,14-octaene
CID 123890073
2-[2,7-Ditert-butyl-9-[3-(2,4-difluoro-5-pyridin-2-ylphenoxy)phenyl]fluoren-9-yl]pyridine
CID 132520058
4-[1-[[7-fluoro-2-[7-fluoro-1-[[4-(4-fluorophenoxy)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]-5-[6-methoxy-1-[(4-pyridin-4-yloxypiperidin-1-yl)methyl]-2,3-dihydro-1H-inden-2-yl]-2,3-dihydro-1H-inden-1-yl]methyl]piperidin-4-yl]oxypyridine
CID 134242853
4-[2-(2,2-dimethylcyclopentyl)-4-[(3-propyl-2,3-dihydro-1H-inden-5-yl)oxymethyl]phenyl]-5-fluoro-2-methoxypyridine
CID 143977506
CID 157802496
CID 157802496

Frequently Asked Questions

What is the IUPAC name of 2-[bis[5-[9-(6-but-2-ynoxynaphthalen-2-yl)fluoren-9-yl]-2-pyridinyl]methyl]-5-[9-(6-but-2-ynoxynaphthalen-2-yl)fluoren-9-yl]pyridine?
The IUPAC name of 2-[bis[5-[9-(6-but-2-ynoxynaphthalen-2-yl)fluoren-9-yl]-2-pyridinyl]methyl]-5-[9-(6-but-2-ynoxynaphthalen-2-yl)fluoren-9-yl]pyridine (CID 153299330) is 2-[bis[5-[9-(6-but-2-ynoxynaphthalen-2-yl)fluoren-9-yl]-2-pyridinyl]methyl]-5-[9-(6-but-2-ynoxynaphthalen-2-yl)fluoren-9-yl]pyridine.
What is the SMILES notation for 2-[bis[5-[9-(6-but-2-ynoxynaphthalen-2-yl)fluoren-9-yl]-2-pyridinyl]methyl]-5-[9-(6-but-2-ynoxynaphthalen-2-yl)fluoren-9-yl]pyridine?
The canonical SMILES for 2-[bis[5-[9-(6-but-2-ynoxynaphthalen-2-yl)fluoren-9-yl]-2-pyridinyl]methyl]-5-[9-(6-but-2-ynoxynaphthalen-2-yl)fluoren-9-yl]pyridine is CC#CCOc1ccc2cc(C3(c4ccc(C(c5ccc(C6(c7ccc8cc(OCC#CC)ccc8c7)c7ccccc7-c7ccccc76)cn5)c5ccc(C6(c7ccc8cc(OCC#CC)ccc8c7)c7ccccc7-c7ccccc76)cn5)nc4)c4ccccc4-c4ccccc43)ccc2c1.
What is the InChIKey of 2-[bis[5-[9-(6-but-2-ynoxynaphthalen-2-yl)fluoren-9-yl]-2-pyridinyl]methyl]-5-[9-(6-but-2-ynoxynaphthalen-2-yl)fluoren-9-yl]pyridine?
The InChIKey is VUUKDRQANUYXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C97H67N3O3/c1-4-7-52-101-76-46-37-64-55-70(40-34-67(64)58-76)95(85-28-16-10-22-79(85)80-23-11-17-29-86(80)95)73-43-49-91(98-61-73)94(92-50-44-74(62-99-92)96(87-30-18-12-24-81(87)82-25-13-19-31-88(82)96)71-41-35-68-59-77(102-53-8-5-2)47-38-65(68)56-71)93-51-45-75(63-100-93)97(89-32-20-14-26-83(89)84-27-15-21-33-90(84)97)72-42-36-69-60-78(103-54-9-6-3)48-39-66(69)57-72/h10-51,55-63,94H,52-54H2,1-3H3.
What are the key properties of 2-[bis[5-[9-(6-but-2-ynoxynaphthalen-2-yl)fluoren-9-yl]-2-pyridinyl]methyl]-5-[9-(6-but-2-ynoxynaphthalen-2-yl)fluoren-9-yl]pyridine?
2-[bis[5-[9-(6-but-2-ynoxynaphthalen-2-yl)fluoren-9-yl]-2-pyridinyl]methyl]-5-[9-(6-but-2-ynoxynaphthalen-2-yl)fluoren-9-yl]pyridine has a molecular weight of 1322.62 g/mol, XLogP of 20.81, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis[5-[9-(6-but-2-ynoxynaphthalen-2-yl)fluoren-9-yl]-2-pyridinyl]methyl]-5-[9-(6-but-2-ynoxynaphthalen-2-yl)fluoren-9-yl]pyridine is sourced from PubChem (CID 153299330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).