2',7'-bis(7,10-diphenylfluoranthen-8-yl)-9,9'-spirobi[fluorene]

C81H48 — CID 86040255

IUPAC2',7'-bis(7,10-diphenylfluoranthen-8-yl)-9,9'-spirobi[fluorene]
SMILESc1ccc(-c2cc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(-c5cc(-c6ccccc6)c6c(c5-c5ccccc5)-c5cccc7cccc-6c57)ccc3-4)c(-c3ccccc3)c3c2-c2cccc4cccc-3c24)cc1
InChIInChI=1S/C81H48/c1-5-21-49(22-6-1)65-47-67(75(53-25-9-3-10-26-53)79-63-37-19-31-51-29-17-35-61(73(51)63)77(65)79)55-41-43-59-60-44-42-56(46-72(60)81(71(59)45-55)69-39-15-13-33-57(69)58-34-14-16-40-70(58)81)68-48-66(50-23-7-2-8-24-50)78-62-36-18-30-52-32-20-38-64(74(52)62)80(78)76(68)54-27-11-4-12-28-54/h1-48H
InChIKeyCNXVCEGOMCJEJR-UHFFFAOYSA-N
MW1021.28 g/mol
LogP21.63
Rot. Bonds6

About 2',7'-bis(7,10-diphenylfluoranthen-8-yl)-9,9'-spirobi[fluorene]

2',7'-bis(7,10-diphenylfluoranthen-8-yl)-9,9'-spirobi[fluorene] (PubChem CID 86040255) has the molecular formula C81H48 and a molecular weight of 1021.28 g/mol. Its IUPAC name is 2',7'-bis(7,10-diphenylfluoranthen-8-yl)-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name2',7'-bis(7,10-diphenylfluoranthen-8-yl)-9,9'-spirobi[fluorene]
PubChem CID86040255
Molecular FormulaC81H48
Molecular Weight1021.28 g/mol
Exact Mass1020.38
IUPAC Name2',7'-bis(7,10-diphenylfluoranthen-8-yl)-9,9'-spirobi[fluorene]
SMILESc1ccc(-c2cc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(-c5cc(-c6ccccc6)c6c(c5-c5ccccc5)-c5cccc7cccc-6c57)ccc3-4)c(-c3ccccc3)c3c2-c2cccc4cccc-3c24)cc1
InChIInChI=1S/C81H48/c1-5-21-49(22-6-1)65-47-67(75(53-25-9-3-10-26-53)79-63-37-19-31-51-29-17-35-61(73(51)63)77(65)79)55-41-43-59-60-44-42-56(46-72(60)81(71(59)45-55)69-39-15-13-33-57(69)58-34-14-16-40-70(58)81)68-48-66(50-23-7-2-8-24-50)78-62-36-18-30-52-32-20-38-64(74(52)62)80(78)76(68)54-27-11-4-12-28-54/h1-48H
InChIKeyCNXVCEGOMCJEJR-UHFFFAOYSA-N
XLogP21.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001021.28
LogP ≤ 521.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

7,10-diphenyl-8-(4-phenylphenyl)fluoranthene
CID 59844130
7-(9,9-dimethylfluoren-2-yl)-10-phenylfluoranthene
CID 170668000
8-phenyl-7,10-bis[3-(3-phenylphenyl)phenyl]fluoranthene
CID 123560042
2-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-4,6-diphenylpyrimidine
CID 118314536
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
2,4-diphenyl-6-(2-phenylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-yl)-1,3,5-triazine
CID 166026039
2,4-diphenyl-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-2-yl-1,3,5-triazine
CID 149015479
4-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]benzonitrile
CID 166868316
9,9-diphenyl-2-[2,3,4,5-tetrakis(9,9-diphenylfluoren-2-yl)phenyl]fluorene
CID 59733842
2'-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]spiro[benzo[a]phenalene-7,9'-fluorene]
CID 153485112
3'-(10-phenylanthracen-9-yl)spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene]
CID 59702604
2-[3-[6-(4-naphthalen-2-ylphenyl)pyren-1-yl]phenyl]-9,9'-spirobi[fluorene]
CID 170778750

Frequently Asked Questions

What is the IUPAC name of 2',7'-bis(7,10-diphenylfluoranthen-8-yl)-9,9'-spirobi[fluorene]?
The IUPAC name of 2',7'-bis(7,10-diphenylfluoranthen-8-yl)-9,9'-spirobi[fluorene] (CID 86040255) is 2',7'-bis(7,10-diphenylfluoranthen-8-yl)-9,9'-spirobi[fluorene].
What is the SMILES notation for 2',7'-bis(7,10-diphenylfluoranthen-8-yl)-9,9'-spirobi[fluorene]?
The canonical SMILES for 2',7'-bis(7,10-diphenylfluoranthen-8-yl)-9,9'-spirobi[fluorene] is c1ccc(-c2cc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(-c5cc(-c6ccccc6)c6c(c5-c5ccccc5)-c5cccc7cccc-6c57)ccc3-4)c(-c3ccccc3)c3c2-c2cccc4cccc-3c24)cc1.
What is the InChIKey of 2',7'-bis(7,10-diphenylfluoranthen-8-yl)-9,9'-spirobi[fluorene]?
The InChIKey is CNXVCEGOMCJEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H48/c1-5-21-49(22-6-1)65-47-67(75(53-25-9-3-10-26-53)79-63-37-19-31-51-29-17-35-61(73(51)63)77(65)79)55-41-43-59-60-44-42-56(46-72(60)81(71(59)45-55)69-39-15-13-33-57(69)58-34-14-16-40-70(58)81)68-48-66(50-23-7-2-8-24-50)78-62-36-18-30-52-32-20-38-64(74(52)62)80(78)76(68)54-27-11-4-12-28-54/h1-48H.
What are the key properties of 2',7'-bis(7,10-diphenylfluoranthen-8-yl)-9,9'-spirobi[fluorene]?
2',7'-bis(7,10-diphenylfluoranthen-8-yl)-9,9'-spirobi[fluorene] has a molecular weight of 1021.28 g/mol, XLogP of 21.63, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2',7'-bis(7,10-diphenylfluoranthen-8-yl)-9,9'-spirobi[fluorene] is sourced from PubChem (CID 86040255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).