1-[9,10-bis[9,9-bis(4-methylphenyl)fluoren-2-yl]anthracen-2-yl]pyrene

C84H58 — CID 59859297

IUPAC1-[9,10-bis[9,9-bis(4-methylphenyl)fluoren-2-yl]anthracen-2-yl]pyrene
SMILESCc1ccc(C2(c3ccc(C)cc3)c3ccccc3-c3ccc(-c4c5ccccc5c(-c5ccc6c(c5)C(c5ccc(C)cc5)(c5ccc(C)cc5)c5ccccc5-6)c5cc(-c6ccc7ccc8cccc9ccc6c7c89)ccc45)cc32)cc1
InChIInChI=1S/C84H58/c1-51-20-35-61(36-21-51)83(62-37-22-52(2)23-38-62)75-18-9-7-14-66(75)68-44-33-59(49-77(68)83)80-70-16-5-6-17-71(70)81(74-48-58(32-47-73(74)80)65-43-30-57-29-28-55-12-11-13-56-31-46-72(65)82(57)79(55)56)60-34-45-69-67-15-8-10-19-76(67)84(78(69)50-60,63-39-24-53(3)25-40-63)64-41-26-54(4)27-42-64/h5-50H,1-4H3
InChIKeyUADCRXFDCSLKTQ-UHFFFAOYSA-N
MW1067.39 g/mol
LogP21.85
Rot. Bonds7

About 1-[9,10-bis[9,9-bis(4-methylphenyl)fluoren-2-yl]anthracen-2-yl]pyrene

1-[9,10-bis[9,9-bis(4-methylphenyl)fluoren-2-yl]anthracen-2-yl]pyrene (PubChem CID 59859297) has the molecular formula C84H58 and a molecular weight of 1067.39 g/mol. Its IUPAC name is 1-[9,10-bis[9,9-bis(4-methylphenyl)fluoren-2-yl]anthracen-2-yl]pyrene.

Molecular Properties

Compound Name1-[9,10-bis[9,9-bis(4-methylphenyl)fluoren-2-yl]anthracen-2-yl]pyrene
PubChem CID59859297
Molecular FormulaC84H58
Molecular Weight1067.39 g/mol
Exact Mass1066.45
IUPAC Name1-[9,10-bis[9,9-bis(4-methylphenyl)fluoren-2-yl]anthracen-2-yl]pyrene
SMILESCc1ccc(C2(c3ccc(C)cc3)c3ccccc3-c3ccc(-c4c5ccccc5c(-c5ccc6c(c5)C(c5ccc(C)cc5)(c5ccc(C)cc5)c5ccccc5-6)c5cc(-c6ccc7ccc8cccc9ccc6c7c89)ccc45)cc32)cc1
InChIInChI=1S/C84H58/c1-51-20-35-61(36-21-51)83(62-37-22-52(2)23-38-62)75-18-9-7-14-66(75)68-44-33-59(49-77(68)83)80-70-16-5-6-17-71(70)81(74-48-58(32-47-73(74)80)65-43-30-57-29-28-55-12-11-13-56-31-46-72(65)82(57)79(55)56)60-34-45-69-67-15-8-10-19-76(67)84(78(69)50-60,63-39-24-53(3)25-40-63)64-41-26-54(4)27-42-64/h5-50H,1-4H3
InChIKeyUADCRXFDCSLKTQ-UHFFFAOYSA-N
XLogP21.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001067.39
LogP ≤ 521.85
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'}

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Related Compounds

4-[9,9-bis(4-methylphenyl)-7-pyren-4-ylfluoren-2-yl]pyrene
CID 58795266
4-[9,10-bis(9,9-diphenylfluoren-2-yl)anthracen-2-yl]benzo[a]anthracene
CID 156676922
1-[3-(9,9-diphenylfluoren-2-yl)phenyl]-6-(3-naphthalen-1-ylphenyl)pyrene
CID 170778639
2,7-bis[4-(3,5-diphenylphenyl)phenyl]-9,9-bis(4-methylphenyl)fluorene;2,7-bis[4-(3,5-diphenylphenyl)phenyl]-9,9-diphenylfluorene;2,7-bis[4-(3,5-diphenylphenyl)phenyl]-9-(4-methylphenyl)-9-(4-phenylphenyl)fluorene;4-[9-(4-methylphenyl)-9-naphthalen-1-yl-7-pyren-4-ylfluoren-2-yl]pyrene
CID 157226056
2-(7-iodonaphthalen-1-yl)-9,9-bis(4-methylphenyl)fluorene
CID 126546625
6-methyl-2-naphthalen-1-yl-9,9-diphenylfluorene
CID 156896834
2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-9,9'-spirobi[fluorene]
CID 58251701
9-(9,9-dimethylfluoren-2-yl)-10-(9,9-diphenylfluoren-2-yl)-2-naphthalen-2-ylanthracene
CID 59195354
9'-(3-pyren-1-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]
CID 140962412
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-2-yl)-10-(9,9-dimethylfluoren-3-yl)-2-naphthalen-1-ylanthracene;3-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-1-ylanthracen-9-yl]fluoranthene
CID 160542211
1-[9,10-bis(4-phenylphenyl)anthracen-2-yl]pyrene
CID 59859301

Frequently Asked Questions

What is the IUPAC name of 1-[9,10-bis[9,9-bis(4-methylphenyl)fluoren-2-yl]anthracen-2-yl]pyrene?
The IUPAC name of 1-[9,10-bis[9,9-bis(4-methylphenyl)fluoren-2-yl]anthracen-2-yl]pyrene (CID 59859297) is 1-[9,10-bis[9,9-bis(4-methylphenyl)fluoren-2-yl]anthracen-2-yl]pyrene.
What is the SMILES notation for 1-[9,10-bis[9,9-bis(4-methylphenyl)fluoren-2-yl]anthracen-2-yl]pyrene?
The canonical SMILES for 1-[9,10-bis[9,9-bis(4-methylphenyl)fluoren-2-yl]anthracen-2-yl]pyrene is Cc1ccc(C2(c3ccc(C)cc3)c3ccccc3-c3ccc(-c4c5ccccc5c(-c5ccc6c(c5)C(c5ccc(C)cc5)(c5ccc(C)cc5)c5ccccc5-6)c5cc(-c6ccc7ccc8cccc9ccc6c7c89)ccc45)cc32)cc1.
What is the InChIKey of 1-[9,10-bis[9,9-bis(4-methylphenyl)fluoren-2-yl]anthracen-2-yl]pyrene?
The InChIKey is UADCRXFDCSLKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H58/c1-51-20-35-61(36-21-51)83(62-37-22-52(2)23-38-62)75-18-9-7-14-66(75)68-44-33-59(49-77(68)83)80-70-16-5-6-17-71(70)81(74-48-58(32-47-73(74)80)65-43-30-57-29-28-55-12-11-13-56-31-46-72(65)82(57)79(55)56)60-34-45-69-67-15-8-10-19-76(67)84(78(69)50-60,63-39-24-53(3)25-40-63)64-41-26-54(4)27-42-64/h5-50H,1-4H3.
What are the key properties of 1-[9,10-bis[9,9-bis(4-methylphenyl)fluoren-2-yl]anthracen-2-yl]pyrene?
1-[9,10-bis[9,9-bis(4-methylphenyl)fluoren-2-yl]anthracen-2-yl]pyrene has a molecular weight of 1067.39 g/mol, XLogP of 21.85, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[9,10-bis[9,9-bis(4-methylphenyl)fluoren-2-yl]anthracen-2-yl]pyrene is sourced from PubChem (CID 59859297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).