3-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]perylene;2-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]-9,9'-spirobi[fluorene];2'-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]spiro[cyclopentane-1,9'-fluorene]

C167H116 — CID 161380807

IUPAC3-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]perylene;2-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]-9,9'-spirobi[fluorene];2'-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]spiro[cyclopentane-1,9'-fluorene]
SMILESCC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4ccc5c(c4)C4(CCCC4)c4ccccc4-5)c4ccc(-c5ccccc5)cc34)ccc21.CC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c4ccc(-c5ccccc5)cc34)ccc21.CC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4ccc5c6cccc7cccc(c8cccc4c85)c76)c4ccc(-c5ccccc5)cc34)ccc21
InChIInChI=1S/C60H40.C55H36.C52H40/c1-59(2)51-24-12-8-21-44(51)49-35-39(30-33-52(49)59)58-47-23-7-6-22-46(47)57(48-32-28-38(34-50(48)58)37-16-4-3-5-17-37)40-29-31-45-43-20-11-15-27-55(43)60(56(45)36-40)53-25-13-9-18-41(53)42-19-10-14-26-54(42)60;1-55(2)49-24-9-8-17-37(49)47-32-36(26-30-50(47)55)52-38-18-6-7-19-41(38)54(46-27-25-35(31-48(46)52)33-13-4-3-5-14-33)45-29-28-44-40-21-11-16-34-15-10-20-39(51(34)40)42-22-12-23-43(45)53(42)44;1-51(2)45-20-10-8-17-38(45)43-31-35(24-27-46(43)51)50-41-19-7-6-18-40(41)49(42-26-22-34(30-44(42)50)33-14-4-3-5-15-33)36-23-25-39-37-16-9-11-21-47(37)52(48(39)32-36)28-12-13-29-52/h3-36H,1-2H3;3-32H,1-2H3;3-11,14-27,30-32H,12-13,28-29H2,1-2H3
InChIKeyVRRSXKQWYBCCEL-UHFFFAOYSA-N
MW2122.76 g/mol
LogP45.14
Rot. Bonds9

About 3-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]perylene;2-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]-9,9'-spirobi[fluorene];2'-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]spiro[cyclopentane-1,9'-fluorene]

3-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]perylene;2-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]-9,9'-spirobi[fluorene];2'-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]spiro[cyclopentane-1,9'-fluorene] (PubChem CID 161380807) has the molecular formula C167H116 and a molecular weight of 2122.76 g/mol. Its IUPAC name is 3-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]perylene;2-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]-9,9'-spirobi[fluorene];2'-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]spiro[cyclopentane-1,9'-fluorene].

Molecular Properties

Compound Name3-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]perylene;2-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]-9,9'-spirobi[fluorene];2'-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]spiro[cyclopentane-1,9'-fluorene]
PubChem CID161380807
Molecular FormulaC167H116
Molecular Weight2122.76 g/mol
Exact Mass2120.91
IUPAC Name3-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]perylene;2-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]-9,9'-spirobi[fluorene];2'-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]spiro[cyclopentane-1,9'-fluorene]
SMILESCC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4ccc5c(c4)C4(CCCC4)c4ccccc4-5)c4ccc(-c5ccccc5)cc34)ccc21.CC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c4ccc(-c5ccccc5)cc34)ccc21.CC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4ccc5c6cccc7cccc(c8cccc4c85)c76)c4ccc(-c5ccccc5)cc34)ccc21
InChIInChI=1S/C60H40.C55H36.C52H40/c1-59(2)51-24-12-8-21-44(51)49-35-39(30-33-52(49)59)58-47-23-7-6-22-46(47)57(48-32-28-38(34-50(48)58)37-16-4-3-5-17-37)40-29-31-45-43-20-11-15-27-55(43)60(56(45)36-40)53-25-13-9-18-41(53)42-19-10-14-26-54(42)60;1-55(2)49-24-9-8-17-37(49)47-32-36(26-30-50(47)55)52-38-18-6-7-19-41(38)54(46-27-25-35(31-48(46)52)33-13-4-3-5-14-33)45-29-28-44-40-21-11-16-34-15-10-20-39(51(34)40)42-22-12-23-43(45)53(42)44;1-51(2)45-20-10-8-17-38(45)43-31-35(24-27-46(43)51)50-41-19-7-6-18-40(41)49(42-26-22-34(30-44(42)50)33-14-4-3-5-15-33)36-23-25-39-37-16-9-11-21-47(37)52(48(39)32-36)28-12-13-29-52/h3-36H,1-2H3;3-32H,1-2H3;3-11,14-27,30-32H,12-13,28-29H2,1-2H3
InChIKeyVRRSXKQWYBCCEL-UHFFFAOYSA-N
XLogP45.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms167
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002122.76
LogP ≤ 545.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]perylene;2-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]-9,9'-spirobi[fluorene];2'-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]spiro[cyclopentane-1,9'-fluorene] with MolForge

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Related Compounds

2'-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]spiro[cyclopentane-1,9'-fluorene]
CID 59196407
2'-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]spiro[cyclopentane-1,9'-fluorene]
CID 59195936
2'-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]spiro[cyclohexane-1,9'-fluorene]
CID 59195417
2'-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-1-ylanthracen-9-yl]spiro[cyclohexane-1,9'-fluorene]
CID 59195931
10-(9,9-dimethylfluoren-2-yl)-2,9-diphenylanthracene;3-[10-(9,9-dimethylfluoren-2-yl)-2-phenylanthracen-9-yl]fluoranthene;3-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]fluoranthene;1-(10-fluoranthen-3-yl-2-phenylanthracen-9-yl)pyrene;1-(10-fluoranthen-3-yl-3-phenylanthracen-9-yl)pyrene
CID 158578384
9-(9,9-dimethylfluoren-3-yl)-10-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylanthracene
CID 59195039
10,10-dimethyl-17-perylen-3-yl-14,21-bis(4-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 58175515
3-[10-(9,9-dimethylfluoren-2-yl)-2-phenylanthracen-9-yl]fluoranthene
CID 58323064
2-[10-[3-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]anthracen-9-yl]-9,9'-spirobi[fluorene]
CID 140724755
9-(9,9-dimethylfluoren-3-yl)-2-naphthalen-1-yl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 59195419
10,10-dimethyl-14-naphthalen-2-yl-21-perylen-3-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene
CID 58175285
9-(9,9-dimethylfluoren-3-yl)-2,10-diphenylanthracene
CID 59195155

Frequently Asked Questions

What is the IUPAC name of 3-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]perylene;2-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]-9,9'-spirobi[fluorene];2'-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]spiro[cyclopentane-1,9'-fluorene]?
The IUPAC name of 3-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]perylene;2-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]-9,9'-spirobi[fluorene];2'-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]spiro[cyclopentane-1,9'-fluorene] (CID 161380807) is 3-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]perylene;2-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]-9,9'-spirobi[fluorene];2'-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]spiro[cyclopentane-1,9'-fluorene].
What is the SMILES notation for 3-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]perylene;2-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]-9,9'-spirobi[fluorene];2'-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]spiro[cyclopentane-1,9'-fluorene]?
The canonical SMILES for 3-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]perylene;2-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]-9,9'-spirobi[fluorene];2'-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]spiro[cyclopentane-1,9'-fluorene] is CC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4ccc5c(c4)C4(CCCC4)c4ccccc4-5)c4ccc(-c5ccccc5)cc34)ccc21.CC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c4ccc(-c5ccccc5)cc34)ccc21.CC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4ccc5c6cccc7cccc(c8cccc4c85)c76)c4ccc(-c5ccccc5)cc34)ccc21.
What is the InChIKey of 3-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]perylene;2-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]-9,9'-spirobi[fluorene];2'-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]spiro[cyclopentane-1,9'-fluorene]?
The InChIKey is VRRSXKQWYBCCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40.C55H36.C52H40/c1-59(2)51-24-12-8-21-44(51)49-35-39(30-33-52(49)59)58-47-23-7-6-22-46(47)57(48-32-28-38(34-50(48)58)37-16-4-3-5-17-37)40-29-31-45-43-20-11-15-27-55(43)60(56(45)36-40)53-25-13-9-18-41(53)42-19-10-14-26-54(42)60;1-55(2)49-24-9-8-17-37(49)47-32-36(26-30-50(47)55)52-38-18-6-7-19-41(38)54(46-27-25-35(31-48(46)52)33-13-4-3-5-14-33)45-29-28-44-40-21-11-16-34-15-10-20-39(51(34)40)42-22-12-23-43(45)53(42)44;1-51(2)45-20-10-8-17-38(45)43-31-35(24-27-46(43)51)50-41-19-7-6-18-40(41)49(42-26-22-34(30-44(42)50)33-14-4-3-5-15-33)36-23-25-39-37-16-9-11-21-47(37)52(48(39)32-36)28-12-13-29-52/h3-36H,1-2H3;3-32H,1-2H3;3-11,14-27,30-32H,12-13,28-29H2,1-2H3.
What are the key properties of 3-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]perylene;2-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]-9,9'-spirobi[fluorene];2'-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]spiro[cyclopentane-1,9'-fluorene]?
3-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]perylene;2-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]-9,9'-spirobi[fluorene];2'-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]spiro[cyclopentane-1,9'-fluorene] has a molecular weight of 2122.76 g/mol, XLogP of 45.14, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]perylene;2-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]-9,9'-spirobi[fluorene];2'-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]spiro[cyclopentane-1,9'-fluorene] is sourced from PubChem (CID 161380807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).