4-[9,9-bis(4-methylphenyl)-7-pyren-4-ylfluoren-2-yl]pyrene

C59H38 — CID 58795266

IUPAC4-[9,9-bis(4-methylphenyl)-7-pyren-4-ylfluoren-2-yl]pyrene
SMILESCc1ccc(C2(c3ccc(C)cc3)c3cc(-c4cc5cccc6ccc7cccc4c7c65)ccc3-c3ccc(-c4cc5cccc6ccc7cccc4c7c65)cc32)cc1
InChIInChI=1S/C59H38/c1-35-15-25-45(26-16-35)59(46-27-17-36(2)18-28-46)53-33-41(51-31-43-11-3-7-37-19-21-39-9-5-13-49(51)57(39)55(37)43)23-29-47(53)48-30-24-42(34-54(48)59)52-32-44-12-4-8-38-20-22-40-10-6-14-50(52)58(40)56(38)44/h3-34H,1-2H3
InChIKeyYCZVHQIQRXKLEX-UHFFFAOYSA-N
MW746.95 g/mol
LogP15.80
Rot. Bonds4

About 4-[9,9-bis(4-methylphenyl)-7-pyren-4-ylfluoren-2-yl]pyrene

4-[9,9-bis(4-methylphenyl)-7-pyren-4-ylfluoren-2-yl]pyrene (PubChem CID 58795266) has the molecular formula C59H38 and a molecular weight of 746.95 g/mol. Its IUPAC name is 4-[9,9-bis(4-methylphenyl)-7-pyren-4-ylfluoren-2-yl]pyrene.

Molecular Properties

Compound Name4-[9,9-bis(4-methylphenyl)-7-pyren-4-ylfluoren-2-yl]pyrene
PubChem CID58795266
Molecular FormulaC59H38
Molecular Weight746.95 g/mol
Exact Mass746.30
IUPAC Name4-[9,9-bis(4-methylphenyl)-7-pyren-4-ylfluoren-2-yl]pyrene
SMILESCc1ccc(C2(c3ccc(C)cc3)c3cc(-c4cc5cccc6ccc7cccc4c7c65)ccc3-c3ccc(-c4cc5cccc6ccc7cccc4c7c65)cc32)cc1
InChIInChI=1S/C59H38/c1-35-15-25-45(26-16-35)59(46-27-17-36(2)18-28-46)53-33-41(51-31-43-11-3-7-37-19-21-39-9-5-13-49(51)57(39)55(37)43)23-29-47(53)48-30-24-42(34-54(48)59)52-32-44-12-4-8-38-20-22-40-10-6-14-50(52)58(40)56(38)44/h3-34H,1-2H3
InChIKeyYCZVHQIQRXKLEX-UHFFFAOYSA-N
XLogP15.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.95
LogP ≤ 515.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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
1-[9,10-bis[9,9-bis(4-methylphenyl)fluoren-2-yl]anthracen-2-yl]pyrene
CID 59859297
4-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]pyrene
CID 58402146
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
6-methyl-2-naphthalen-1-yl-9,9-diphenylfluorene
CID 156896834
7-(4-methylphenyl)-7-phenyl-9-[10-(4-phenylphenyl)anthracen-9-yl]benzo[c]fluorene
CID 144583282
4-(7-pyren-4-ylnaphthalen-2-yl)pyrene
CID 59805090
2-[9,9-bis(4-methylphenyl)-7-triphenylen-2-ylfluoren-2-yl]triphenylene
CID 58795241
2-(7-iodonaphthalen-1-yl)-9,9-bis(4-methylphenyl)fluorene
CID 126546625
1-[3-(9,9-diphenylfluoren-2-yl)phenyl]-6-(3-naphthalen-1-ylphenyl)pyrene
CID 170778639
9-[4-(4-methylphenyl)phenyl]-2,7-dinaphthalen-2-yl-9-phenylfluorene
CID 58894843
1-[4-[3,5-bis(4-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene;9-[3,5-di(phenanthren-9-yl)phenyl]phenanthrene;4-[3,5-di(pyren-4-yl)phenyl]pyrene;2,2',7,7'-tetrakis[4-(2,4,6-trimethylphenyl)phenyl]-9,9'-spirobi[fluorene];2,2',7,7'-tetranaphthalen-1-yl-9,9'-spirobi[fluorene]
CID 159627804

Frequently Asked Questions

What is the IUPAC name of 4-[9,9-bis(4-methylphenyl)-7-pyren-4-ylfluoren-2-yl]pyrene?
The IUPAC name of 4-[9,9-bis(4-methylphenyl)-7-pyren-4-ylfluoren-2-yl]pyrene (CID 58795266) is 4-[9,9-bis(4-methylphenyl)-7-pyren-4-ylfluoren-2-yl]pyrene.
What is the SMILES notation for 4-[9,9-bis(4-methylphenyl)-7-pyren-4-ylfluoren-2-yl]pyrene?
The canonical SMILES for 4-[9,9-bis(4-methylphenyl)-7-pyren-4-ylfluoren-2-yl]pyrene is Cc1ccc(C2(c3ccc(C)cc3)c3cc(-c4cc5cccc6ccc7cccc4c7c65)ccc3-c3ccc(-c4cc5cccc6ccc7cccc4c7c65)cc32)cc1.
What is the InChIKey of 4-[9,9-bis(4-methylphenyl)-7-pyren-4-ylfluoren-2-yl]pyrene?
The InChIKey is YCZVHQIQRXKLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H38/c1-35-15-25-45(26-16-35)59(46-27-17-36(2)18-28-46)53-33-41(51-31-43-11-3-7-37-19-21-39-9-5-13-49(51)57(39)55(37)43)23-29-47(53)48-30-24-42(34-54(48)59)52-32-44-12-4-8-38-20-22-40-10-6-14-50(52)58(40)56(38)44/h3-34H,1-2H3.
What are the key properties of 4-[9,9-bis(4-methylphenyl)-7-pyren-4-ylfluoren-2-yl]pyrene?
4-[9,9-bis(4-methylphenyl)-7-pyren-4-ylfluoren-2-yl]pyrene has a molecular weight of 746.95 g/mol, XLogP of 15.80, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9,9-bis(4-methylphenyl)-7-pyren-4-ylfluoren-2-yl]pyrene is sourced from PubChem (CID 58795266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).