2-[4-[2-phenyl-4,6-bis(4-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene];2-[4-[2,4,6-tris(4-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]

C140H92 — CID 158891851

IUPAC2-[4-[2-phenyl-4,6-bis(4-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene];2-[4-[2,4,6-tris(4-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)c(-c4ccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc4)c(-c4ccc(-c5ccccc5)cc4)c3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccccc4)c(-c4ccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc4)c(-c4ccc(-c5ccccc5)cc4)c3)cc2)cc1
InChIInChI=1S/C73H48.C67H44/c1-4-16-49(17-5-1)52-28-30-56(31-29-52)61-46-66(57-38-32-53(33-39-57)50-18-6-2-7-19-50)72(67(47-61)58-40-34-54(35-41-58)51-20-8-3-9-21-51)59-42-36-55(37-43-59)60-44-45-65-64-24-12-15-27-70(64)73(71(65)48-60)68-25-13-10-22-62(68)63-23-11-14-26-69(63)73;1-4-16-45(17-5-1)47-28-30-50(31-29-47)55-42-60(51-20-8-3-9-21-51)66(61(43-55)52-36-32-48(33-37-52)46-18-6-2-7-19-46)53-38-34-49(35-39-53)54-40-41-59-58-24-12-15-27-64(58)67(65(59)44-54)62-25-13-10-22-56(62)57-23-11-14-26-63(57)67/h1-48H;1-44H
InChIKeyJEIJSTJGQZYBHA-UHFFFAOYSA-N
MW1774.28 g/mol
LogP37.07
Rot. Bonds15

About 2-[4-[2-phenyl-4,6-bis(4-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene];2-[4-[2,4,6-tris(4-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]

2-[4-[2-phenyl-4,6-bis(4-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene];2-[4-[2,4,6-tris(4-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene] (PubChem CID 158891851) has the molecular formula C140H92 and a molecular weight of 1774.28 g/mol. Its IUPAC name is 2-[4-[2-phenyl-4,6-bis(4-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene];2-[4-[2,4,6-tris(4-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name2-[4-[2-phenyl-4,6-bis(4-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene];2-[4-[2,4,6-tris(4-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]
PubChem CID158891851
Molecular FormulaC140H92
Molecular Weight1774.28 g/mol
Exact Mass1772.72
IUPAC Name2-[4-[2-phenyl-4,6-bis(4-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene];2-[4-[2,4,6-tris(4-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)c(-c4ccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc4)c(-c4ccc(-c5ccccc5)cc4)c3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccccc4)c(-c4ccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc4)c(-c4ccc(-c5ccccc5)cc4)c3)cc2)cc1
InChIInChI=1S/C73H48.C67H44/c1-4-16-49(17-5-1)52-28-30-56(31-29-52)61-46-66(57-38-32-53(33-39-57)50-18-6-2-7-19-50)72(67(47-61)58-40-34-54(35-41-58)51-20-8-3-9-21-51)59-42-36-55(37-43-59)60-44-45-65-64-24-12-15-27-70(64)73(71(65)48-60)68-25-13-10-22-62(68)63-23-11-14-26-69(63)73;1-4-16-45(17-5-1)47-28-30-50(31-29-47)55-42-60(51-20-8-3-9-21-51)66(61(43-55)52-36-32-48(33-37-52)46-18-6-2-7-19-46)53-38-34-49(35-39-53)54-40-41-59-58-24-12-15-27-64(58)67(65(59)44-54)62-25-13-10-22-56(62)57-23-11-14-26-63(57)67/h1-48H;1-44H
InChIKeyJEIJSTJGQZYBHA-UHFFFAOYSA-N
XLogP37.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms140
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001774.28
LogP ≤ 537.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-[4-[2-phenyl-4,6-bis(4-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene];2-[4-[2,4,6-tris(4-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene] with MolForge

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Related Compounds

2-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]
CID 140831168
2',7'-bis[4-(10-phenylanthracen-9-yl)phenyl]-9,9'-spirobi[fluorene]
CID 58174873
N-phenyl-N-[4-(2,4,6-triphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 135137313
2'-(10-phenylanthracen-9-yl)-7'-[4-(10-phenylanthracen-9-yl)phenyl]-9,9'-spirobi[fluorene]
CID 58174877
3,3'-diphenyl-9,9'-spirobi[fluorene]
CID 58789520
2'-(4-bromophenyl)-7'-phenyl-9,9'-spirobi[fluorene]
CID 142716244
methane;3-phenyl-9,9'-spirobi[fluorene]
CID 145237340
2-phenyl-4-(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 129150894
2,4-diphenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 118426846
2-[2,3,4,5,6-pentakis(9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9'-spirobi[fluorene]
CID 101469787
2-[9,10-bis(2,3,4,5,6-pentakis-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)anthracen-2-yl]-9,9'-spirobi[fluorene]
CID 167352769
2,6-diphenyl-4-[4-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine;2,6-diphenyl-4-[4-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyridine;2,6-diphenyl-4-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine;2,6-diphenyl-4-[4-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyridine
CID 158428092

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-phenyl-4,6-bis(4-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene];2-[4-[2,4,6-tris(4-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]?
The IUPAC name of 2-[4-[2-phenyl-4,6-bis(4-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene];2-[4-[2,4,6-tris(4-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene] (CID 158891851) is 2-[4-[2-phenyl-4,6-bis(4-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene];2-[4-[2,4,6-tris(4-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene].
What is the SMILES notation for 2-[4-[2-phenyl-4,6-bis(4-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene];2-[4-[2,4,6-tris(4-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]?
The canonical SMILES for 2-[4-[2-phenyl-4,6-bis(4-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene];2-[4-[2,4,6-tris(4-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene] is c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)c(-c4ccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc4)c(-c4ccc(-c5ccccc5)cc4)c3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccccc4)c(-c4ccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc4)c(-c4ccc(-c5ccccc5)cc4)c3)cc2)cc1.
What is the InChIKey of 2-[4-[2-phenyl-4,6-bis(4-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene];2-[4-[2,4,6-tris(4-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]?
The InChIKey is JEIJSTJGQZYBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H48.C67H44/c1-4-16-49(17-5-1)52-28-30-56(31-29-52)61-46-66(57-38-32-53(33-39-57)50-18-6-2-7-19-50)72(67(47-61)58-40-34-54(35-41-58)51-20-8-3-9-21-51)59-42-36-55(37-43-59)60-44-45-65-64-24-12-15-27-70(64)73(71(65)48-60)68-25-13-10-22-62(68)63-23-11-14-26-69(63)73;1-4-16-45(17-5-1)47-28-30-50(31-29-47)55-42-60(51-20-8-3-9-21-51)66(61(43-55)52-36-32-48(33-37-52)46-18-6-2-7-19-46)53-38-34-49(35-39-53)54-40-41-59-58-24-12-15-27-64(58)67(65(59)44-54)62-25-13-10-22-56(62)57-23-11-14-26-63(57)67/h1-48H;1-44H.
What are the key properties of 2-[4-[2-phenyl-4,6-bis(4-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene];2-[4-[2,4,6-tris(4-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]?
2-[4-[2-phenyl-4,6-bis(4-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene];2-[4-[2,4,6-tris(4-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene] has a molecular weight of 1774.28 g/mol, XLogP of 37.07, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-phenyl-4,6-bis(4-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene];2-[4-[2,4,6-tris(4-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene] is sourced from PubChem (CID 158891851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).