6-(7'-chrysen-6-ylspiro[cyclohexane-1,9'-fluorene]-2'-yl)chrysene;6-(7'-chrysen-6-ylspiro[cyclopentane-1,9'-fluorene]-2'-yl)chrysene;2',7'-di(chrysen-6-yl)spiro[cycloheptane-1,9'-fluorene];3,7-di(pyren-1-yl)spiro[benzo[b][1]benzosilole-5,1'-silolane];3',7'-di(pyren-1-yl)spiro[1,3-dihydro-2-benzosilole-2,5'-benzo[b][1]benzosilole]

C262H178Si2 — CID 161077769

IUPAC6-(7'-chrysen-6-ylspiro[cyclohexane-1,9'-fluorene]-2'-yl)chrysene;6-(7'-chrysen-6-ylspiro[cyclopentane-1,9'-fluorene]-2'-yl)chrysene;2',7'-di(chrysen-6-yl)spiro[cycloheptane-1,9'-fluorene];3,7-di(pyren-1-yl)spiro[benzo[b][1]benzosilole-5,1'-silolane];3',7'-di(pyren-1-yl)spiro[1,3-dihydro-2-benzosilole-2,5'-benzo[b][1]benzosilole]
SMILESc1cc2ccc3ccc(-c4ccc5c(c4)[Si]4(CCCC4)c4cc(-c6ccc7ccc8cccc9ccc6c7c89)ccc4-5)c4ccc(c1)c2c34.c1ccc2c(c1)C[Si]1(C2)c2cc(-c3ccc4ccc5cccc6ccc3c4c56)ccc2-c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc21.c1ccc2c(c1)ccc1c3ccccc3c(-c3ccc4c(c3)C3(CCCC3)c3cc(-c5cc6c7ccccc7ccc6c6ccccc56)ccc3-4)cc21.c1ccc2c(c1)ccc1c3ccccc3c(-c3ccc4c(c3)C3(CCCCC3)c3cc(-c5cc6c7ccccc7ccc6c6ccccc56)ccc3-4)cc21.c1ccc2c(c1)ccc1c3ccccc3c(-c3ccc4c(c3)C3(CCCCCC3)c3cc(-c5cc6c7ccccc7ccc6c6ccccc56)ccc3-4)cc21
InChIInChI=1S/C55H40.C54H38.C53H36.C52H32Si.C48H32Si/c1-2-12-30-55(29-11-1)53-31-37(49-33-51-39-15-5-3-13-35(39)21-25-45(51)41-17-7-9-19-43(41)49)23-27-47(53)48-28-24-38(32-54(48)55)50-34-52-40-16-6-4-14-36(40)22-26-46(52)42-18-8-10-20-44(42)50;1-10-28-54(29-11-1)52-30-36(48-32-50-38-14-4-2-12-34(38)20-24-44(50)40-16-6-8-18-42(40)48)22-26-46(52)47-27-23-37(31-53(47)54)49-33-51-39-15-5-3-13-35(39)21-25-45(51)41-17-7-9-19-43(41)49;1-3-13-37-33(11-1)19-23-43-39-15-5-7-17-41(39)47(31-49(37)43)35-21-25-45-46-26-22-36(30-52(46)53(51(45)29-35)27-9-10-28-53)48-32-50-38-14-4-2-12-34(38)20-24-44(50)40-16-6-8-18-42(40)48;1-2-6-40-30-53(29-39(40)5-1)47-27-37(41-21-15-35-13-11-31-7-3-9-33-17-25-45(41)51(35)49(31)33)19-23-43(47)44-24-20-38(28-48(44)53)42-22-16-36-14-12-32-8-4-10-34-18-26-46(42)52(36)50(32)34;1-2-26-49(25-1)43-27-35(37-19-13-33-11-9-29-5-3-7-31-15-23-41(37)47(33)45(29)31)17-21-39(43)40-22-18-36(28-44(40)49)38-20-14-34-12-10-30-6-4-8-32-16-24-42(38)48(34)46(30)32/h3-10,13-28,31-34H,1-2,11-12,29-30H2;2-9,12-27,30-33H,1,10-11,28-29H2;1-8,11-26,29-32H,9-10,27-28H2;1-28H,29-30H2;3-24,27-28H,1-2,25-26H2
InChIKeyUFMWPKIATKNSES-UHFFFAOYSA-N
MW3382.48 g/mol
LogP69.90
Rot. Bonds10

About 6-(7'-chrysen-6-ylspiro[cyclohexane-1,9'-fluorene]-2'-yl)chrysene;6-(7'-chrysen-6-ylspiro[cyclopentane-1,9'-fluorene]-2'-yl)chrysene;2',7'-di(chrysen-6-yl)spiro[cycloheptane-1,9'-fluorene];3,7-di(pyren-1-yl)spiro[benzo[b][1]benzosilole-5,1'-silolane];3',7'-di(pyren-1-yl)spiro[1,3-dihydro-2-benzosilole-2,5'-benzo[b][1]benzosilole]

6-(7'-chrysen-6-ylspiro[cyclohexane-1,9'-fluorene]-2'-yl)chrysene;6-(7'-chrysen-6-ylspiro[cyclopentane-1,9'-fluorene]-2'-yl)chrysene;2',7'-di(chrysen-6-yl)spiro[cycloheptane-1,9'-fluorene];3,7-di(pyren-1-yl)spiro[benzo[b][1]benzosilole-5,1'-silolane];3',7'-di(pyren-1-yl)spiro[1,3-dihydro-2-benzosilole-2,5'-benzo[b][1]benzosilole] (PubChem CID 161077769) has the molecular formula C262H178Si2 and a molecular weight of 3382.48 g/mol. Its IUPAC name is 6-(7'-chrysen-6-ylspiro[cyclohexane-1,9'-fluorene]-2'-yl)chrysene;6-(7'-chrysen-6-ylspiro[cyclopentane-1,9'-fluorene]-2'-yl)chrysene;2',7'-di(chrysen-6-yl)spiro[cycloheptane-1,9'-fluorene];3,7-di(pyren-1-yl)spiro[benzo[b][1]benzosilole-5,1'-silolane];3',7'-di(pyren-1-yl)spiro[1,3-dihydro-2-benzosilole-2,5'-benzo[b][1]benzosilole].

Molecular Properties

Compound Name6-(7'-chrysen-6-ylspiro[cyclohexane-1,9'-fluorene]-2'-yl)chrysene;6-(7'-chrysen-6-ylspiro[cyclopentane-1,9'-fluorene]-2'-yl)chrysene;2',7'-di(chrysen-6-yl)spiro[cycloheptane-1,9'-fluorene];3,7-di(pyren-1-yl)spiro[benzo[b][1]benzosilole-5,1'-silolane];3',7'-di(pyren-1-yl)spiro[1,3-dihydro-2-benzosilole-2,5'-benzo[b][1]benzosilole]
PubChem CID161077769
Molecular FormulaC262H178Si2
Molecular Weight3382.48 g/mol
Exact Mass3379.35
IUPAC Name6-(7'-chrysen-6-ylspiro[cyclohexane-1,9'-fluorene]-2'-yl)chrysene;6-(7'-chrysen-6-ylspiro[cyclopentane-1,9'-fluorene]-2'-yl)chrysene;2',7'-di(chrysen-6-yl)spiro[cycloheptane-1,9'-fluorene];3,7-di(pyren-1-yl)spiro[benzo[b][1]benzosilole-5,1'-silolane];3',7'-di(pyren-1-yl)spiro[1,3-dihydro-2-benzosilole-2,5'-benzo[b][1]benzosilole]
SMILESc1cc2ccc3ccc(-c4ccc5c(c4)[Si]4(CCCC4)c4cc(-c6ccc7ccc8cccc9ccc6c7c89)ccc4-5)c4ccc(c1)c2c34.c1ccc2c(c1)C[Si]1(C2)c2cc(-c3ccc4ccc5cccc6ccc3c4c56)ccc2-c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc21.c1ccc2c(c1)ccc1c3ccccc3c(-c3ccc4c(c3)C3(CCCC3)c3cc(-c5cc6c7ccccc7ccc6c6ccccc56)ccc3-4)cc21.c1ccc2c(c1)ccc1c3ccccc3c(-c3ccc4c(c3)C3(CCCCC3)c3cc(-c5cc6c7ccccc7ccc6c6ccccc56)ccc3-4)cc21.c1ccc2c(c1)ccc1c3ccccc3c(-c3ccc4c(c3)C3(CCCCCC3)c3cc(-c5cc6c7ccccc7ccc6c6ccccc56)ccc3-4)cc21
InChIInChI=1S/C55H40.C54H38.C53H36.C52H32Si.C48H32Si/c1-2-12-30-55(29-11-1)53-31-37(49-33-51-39-15-5-3-13-35(39)21-25-45(51)41-17-7-9-19-43(41)49)23-27-47(53)48-28-24-38(32-54(48)55)50-34-52-40-16-6-4-14-36(40)22-26-46(52)42-18-8-10-20-44(42)50;1-10-28-54(29-11-1)52-30-36(48-32-50-38-14-4-2-12-34(38)20-24-44(50)40-16-6-8-18-42(40)48)22-26-46(52)47-27-23-37(31-53(47)54)49-33-51-39-15-5-3-13-35(39)21-25-45(51)41-17-7-9-19-43(41)49;1-3-13-37-33(11-1)19-23-43-39-15-5-7-17-41(39)47(31-49(37)43)35-21-25-45-46-26-22-36(30-52(46)53(51(45)29-35)27-9-10-28-53)48-32-50-38-14-4-2-12-34(38)20-24-44(50)40-16-6-8-18-42(40)48;1-2-6-40-30-53(29-39(40)5-1)47-27-37(41-21-15-35-13-11-31-7-3-9-33-17-25-45(41)51(35)49(31)33)19-23-43(47)44-24-20-38(28-48(44)53)42-22-16-36-14-12-32-8-4-10-34-18-26-46(42)52(36)50(32)34;1-2-26-49(25-1)43-27-35(37-19-13-33-11-9-29-5-3-7-31-15-23-41(37)47(33)45(29)31)17-21-39(43)40-22-18-36(28-44(40)49)38-20-14-34-12-10-30-6-4-8-32-16-24-42(38)48(34)46(30)32/h3-10,13-28,31-34H,1-2,11-12,29-30H2;2-9,12-27,30-33H,1,10-11,28-29H2;1-8,11-26,29-32H,9-10,27-28H2;1-28H,29-30H2;3-24,27-28H,1-2,25-26H2
InChIKeyUFMWPKIATKNSES-UHFFFAOYSA-N
XLogP69.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms264
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003382.48
LogP ≤ 569.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 6-(7'-chrysen-6-ylspiro[cyclohexane-1,9'-fluorene]-2'-yl)chrysene;6-(7'-chrysen-6-ylspiro[cyclopentane-1,9'-fluorene]-2'-yl)chrysene;2',7'-di(chrysen-6-yl)spiro[cycloheptane-1,9'-fluorene];3,7-di(pyren-1-yl)spiro[benzo[b][1]benzosilole-5,1'-silolane];3',7'-di(pyren-1-yl)spiro[1,3-dihydro-2-benzosilole-2,5'-benzo[b][1]benzosilole] with MolForge

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Related Compounds

2',7'-bis(5-pyren-1-ylnaphthalen-1-yl)spiro[cyclohexane-1,9'-fluorene];2',7'-bis(6-pyren-1-ylnaphthalen-2-yl)spiro[cyclohexane-1,9'-fluorene];1-[5-[9,9-dimethyl-7-(5-pyren-1-ylnaphthalen-1-yl)fluoren-2-yl]naphthalen-1-yl]pyrene;1-[6-[9,9-dimethyl-7-(6-pyren-1-ylnaphthalen-2-yl)fluoren-2-yl]naphthalen-2-yl]pyrene;1-[9,9-dimethyl-7-(6-pyren-1-ylpyren-1-yl)fluoren-2-yl]-6-pyren-1-ylpyrene
CID 159982983
6,12-bis(4-benzo[c]phenanthren-5-ylphenyl)chrysene;6,12-bis(3-naphthalen-1-ylphenyl)chrysene;6,12-bis(4-spiro[cyclopentane-1,9'-fluorene]-2'-ylphenyl)chrysene;6,12-bis(4-triphenylen-2-ylphenyl)chrysene
CID 158482253
2',7'-bis(3-pyren-2-ylphenyl)spiro[cyclohexane-1,9'-fluorene]
CID 59217230
8-naphthalen-2-yl-5-spiro[cyclopentane-1,9'-fluorene]-2'-ylbenzo[c]phenanthrene
CID 59282253
4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-(3-pyren-1-ylphenyl)pyrimidine;4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-(4-pyren-1-ylphenyl)pyrimidine;4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-pyren-1-ylpyrimidine;2-phenyl-4-(4-pyren-1-ylphenyl)-6-spiro[cyclohexane-1,9'-fluorene]-2'-ylpyrimidine
CID 161178608
7-[4-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)naphthalen-1-yl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaene
CID 58569114
4,11-di(pyren-4-yl)pentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene
CID 141100835
2-(6-phenanthren-2-ylpyren-1-yl)triphenylene
CID 176846459
N-phenanthren-3-yl-3'-spiro[cyclopentane-1,9'-fluorene]-2'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138730851
3-(7-chrysen-3-yl-9,9-dimethylfluoren-2-yl)perylene
CID 123741109
25-chrysen-6-yl-22,22,32,32-tetramethyloctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.023,28]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,23(28),24,26,29-pentadecaene
CID 123959773
19-(4-pyren-1-ylphenyl)heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22,27-tetradecaene
CID 167412019

Frequently Asked Questions

What is the IUPAC name of 6-(7'-chrysen-6-ylspiro[cyclohexane-1,9'-fluorene]-2'-yl)chrysene;6-(7'-chrysen-6-ylspiro[cyclopentane-1,9'-fluorene]-2'-yl)chrysene;2',7'-di(chrysen-6-yl)spiro[cycloheptane-1,9'-fluorene];3,7-di(pyren-1-yl)spiro[benzo[b][1]benzosilole-5,1'-silolane];3',7'-di(pyren-1-yl)spiro[1,3-dihydro-2-benzosilole-2,5'-benzo[b][1]benzosilole]?
The IUPAC name of 6-(7'-chrysen-6-ylspiro[cyclohexane-1,9'-fluorene]-2'-yl)chrysene;6-(7'-chrysen-6-ylspiro[cyclopentane-1,9'-fluorene]-2'-yl)chrysene;2',7'-di(chrysen-6-yl)spiro[cycloheptane-1,9'-fluorene];3,7-di(pyren-1-yl)spiro[benzo[b][1]benzosilole-5,1'-silolane];3',7'-di(pyren-1-yl)spiro[1,3-dihydro-2-benzosilole-2,5'-benzo[b][1]benzosilole] (CID 161077769) is 6-(7'-chrysen-6-ylspiro[cyclohexane-1,9'-fluorene]-2'-yl)chrysene;6-(7'-chrysen-6-ylspiro[cyclopentane-1,9'-fluorene]-2'-yl)chrysene;2',7'-di(chrysen-6-yl)spiro[cycloheptane-1,9'-fluorene];3,7-di(pyren-1-yl)spiro[benzo[b][1]benzosilole-5,1'-silolane];3',7'-di(pyren-1-yl)spiro[1,3-dihydro-2-benzosilole-2,5'-benzo[b][1]benzosilole].
What is the SMILES notation for 6-(7'-chrysen-6-ylspiro[cyclohexane-1,9'-fluorene]-2'-yl)chrysene;6-(7'-chrysen-6-ylspiro[cyclopentane-1,9'-fluorene]-2'-yl)chrysene;2',7'-di(chrysen-6-yl)spiro[cycloheptane-1,9'-fluorene];3,7-di(pyren-1-yl)spiro[benzo[b][1]benzosilole-5,1'-silolane];3',7'-di(pyren-1-yl)spiro[1,3-dihydro-2-benzosilole-2,5'-benzo[b][1]benzosilole]?
The canonical SMILES for 6-(7'-chrysen-6-ylspiro[cyclohexane-1,9'-fluorene]-2'-yl)chrysene;6-(7'-chrysen-6-ylspiro[cyclopentane-1,9'-fluorene]-2'-yl)chrysene;2',7'-di(chrysen-6-yl)spiro[cycloheptane-1,9'-fluorene];3,7-di(pyren-1-yl)spiro[benzo[b][1]benzosilole-5,1'-silolane];3',7'-di(pyren-1-yl)spiro[1,3-dihydro-2-benzosilole-2,5'-benzo[b][1]benzosilole] is c1cc2ccc3ccc(-c4ccc5c(c4)[Si]4(CCCC4)c4cc(-c6ccc7ccc8cccc9ccc6c7c89)ccc4-5)c4ccc(c1)c2c34.c1ccc2c(c1)C[Si]1(C2)c2cc(-c3ccc4ccc5cccc6ccc3c4c56)ccc2-c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc21.c1ccc2c(c1)ccc1c3ccccc3c(-c3ccc4c(c3)C3(CCCC3)c3cc(-c5cc6c7ccccc7ccc6c6ccccc56)ccc3-4)cc21.c1ccc2c(c1)ccc1c3ccccc3c(-c3ccc4c(c3)C3(CCCCC3)c3cc(-c5cc6c7ccccc7ccc6c6ccccc56)ccc3-4)cc21.c1ccc2c(c1)ccc1c3ccccc3c(-c3ccc4c(c3)C3(CCCCCC3)c3cc(-c5cc6c7ccccc7ccc6c6ccccc56)ccc3-4)cc21.
What is the InChIKey of 6-(7'-chrysen-6-ylspiro[cyclohexane-1,9'-fluorene]-2'-yl)chrysene;6-(7'-chrysen-6-ylspiro[cyclopentane-1,9'-fluorene]-2'-yl)chrysene;2',7'-di(chrysen-6-yl)spiro[cycloheptane-1,9'-fluorene];3,7-di(pyren-1-yl)spiro[benzo[b][1]benzosilole-5,1'-silolane];3',7'-di(pyren-1-yl)spiro[1,3-dihydro-2-benzosilole-2,5'-benzo[b][1]benzosilole]?
The InChIKey is UFMWPKIATKNSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H40.C54H38.C53H36.C52H32Si.C48H32Si/c1-2-12-30-55(29-11-1)53-31-37(49-33-51-39-15-5-3-13-35(39)21-25-45(51)41-17-7-9-19-43(41)49)23-27-47(53)48-28-24-38(32-54(48)55)50-34-52-40-16-6-4-14-36(40)22-26-46(52)42-18-8-10-20-44(42)50;1-10-28-54(29-11-1)52-30-36(48-32-50-38-14-4-2-12-34(38)20-24-44(50)40-16-6-8-18-42(40)48)22-26-46(52)47-27-23-37(31-53(47)54)49-33-51-39-15-5-3-13-35(39)21-25-45(51)41-17-7-9-19-43(41)49;1-3-13-37-33(11-1)19-23-43-39-15-5-7-17-41(39)47(31-49(37)43)35-21-25-45-46-26-22-36(30-52(46)53(51(45)29-35)27-9-10-28-53)48-32-50-38-14-4-2-12-34(38)20-24-44(50)40-16-6-8-18-42(40)48;1-2-6-40-30-53(29-39(40)5-1)47-27-37(41-21-15-35-13-11-31-7-3-9-33-17-25-45(41)51(35)49(31)33)19-23-43(47)44-24-20-38(28-48(44)53)42-22-16-36-14-12-32-8-4-10-34-18-26-46(42)52(36)50(32)34;1-2-26-49(25-1)43-27-35(37-19-13-33-11-9-29-5-3-7-31-15-23-41(37)47(33)45(29)31)17-21-39(43)40-22-18-36(28-44(40)49)38-20-14-34-12-10-30-6-4-8-32-16-24-42(38)48(34)46(30)32/h3-10,13-28,31-34H,1-2,11-12,29-30H2;2-9,12-27,30-33H,1,10-11,28-29H2;1-8,11-26,29-32H,9-10,27-28H2;1-28H,29-30H2;3-24,27-28H,1-2,25-26H2.
What are the key properties of 6-(7'-chrysen-6-ylspiro[cyclohexane-1,9'-fluorene]-2'-yl)chrysene;6-(7'-chrysen-6-ylspiro[cyclopentane-1,9'-fluorene]-2'-yl)chrysene;2',7'-di(chrysen-6-yl)spiro[cycloheptane-1,9'-fluorene];3,7-di(pyren-1-yl)spiro[benzo[b][1]benzosilole-5,1'-silolane];3',7'-di(pyren-1-yl)spiro[1,3-dihydro-2-benzosilole-2,5'-benzo[b][1]benzosilole]?
6-(7'-chrysen-6-ylspiro[cyclohexane-1,9'-fluorene]-2'-yl)chrysene;6-(7'-chrysen-6-ylspiro[cyclopentane-1,9'-fluorene]-2'-yl)chrysene;2',7'-di(chrysen-6-yl)spiro[cycloheptane-1,9'-fluorene];3,7-di(pyren-1-yl)spiro[benzo[b][1]benzosilole-5,1'-silolane];3',7'-di(pyren-1-yl)spiro[1,3-dihydro-2-benzosilole-2,5'-benzo[b][1]benzosilole] has a molecular weight of 3382.48 g/mol, XLogP of 69.90, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7'-chrysen-6-ylspiro[cyclohexane-1,9'-fluorene]-2'-yl)chrysene;6-(7'-chrysen-6-ylspiro[cyclopentane-1,9'-fluorene]-2'-yl)chrysene;2',7'-di(chrysen-6-yl)spiro[cycloheptane-1,9'-fluorene];3,7-di(pyren-1-yl)spiro[benzo[b][1]benzosilole-5,1'-silolane];3',7'-di(pyren-1-yl)spiro[1,3-dihydro-2-benzosilole-2,5'-benzo[b][1]benzosilole] is sourced from PubChem (CID 161077769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).