1-[4-[9,9-dimethyl-7-(6-phenylpyren-1-yl)fluoren-2-yl]phenyl]-6-phenylpyrene

C65H42 — CID 156656915

IUPAC1-[4-[9,9-dimethyl-7-(6-phenylpyren-1-yl)fluoren-2-yl]phenyl]-6-phenylpyrene
SMILESCC1(C)c2cc(-c3ccc(-c4ccc5ccc6c(-c7ccccc7)ccc7ccc4c5c76)cc3)ccc2-c2ccc(-c3ccc4ccc5c(-c6ccccc6)ccc6ccc3c4c65)cc21
InChIInChI=1S/C65H42/c1-65(2)59-37-47(39-13-15-42(16-14-39)51-29-19-45-21-33-55-49(40-9-5-3-6-10-40)27-17-43-23-35-57(51)63(45)61(43)55)25-31-53(59)54-32-26-48(38-60(54)65)52-30-20-46-22-34-56-50(41-11-7-4-8-12-41)28-18-44-24-36-58(52)64(46)62(44)56/h3-38H,1-2H3
InChIKeyPWLFZAQDHZPCAD-UHFFFAOYSA-N
MW823.05 g/mol
LogP18.12
Rot. Bonds5

About 1-[4-[9,9-dimethyl-7-(6-phenylpyren-1-yl)fluoren-2-yl]phenyl]-6-phenylpyrene

1-[4-[9,9-dimethyl-7-(6-phenylpyren-1-yl)fluoren-2-yl]phenyl]-6-phenylpyrene (PubChem CID 156656915) has the molecular formula C65H42 and a molecular weight of 823.05 g/mol. Its IUPAC name is 1-[4-[9,9-dimethyl-7-(6-phenylpyren-1-yl)fluoren-2-yl]phenyl]-6-phenylpyrene.

Molecular Properties

Compound Name1-[4-[9,9-dimethyl-7-(6-phenylpyren-1-yl)fluoren-2-yl]phenyl]-6-phenylpyrene
PubChem CID156656915
Molecular FormulaC65H42
Molecular Weight823.05 g/mol
Exact Mass822.33
IUPAC Name1-[4-[9,9-dimethyl-7-(6-phenylpyren-1-yl)fluoren-2-yl]phenyl]-6-phenylpyrene
SMILESCC1(C)c2cc(-c3ccc(-c4ccc5ccc6c(-c7ccccc7)ccc7ccc4c5c76)cc3)ccc2-c2ccc(-c3ccc4ccc5c(-c6ccccc6)ccc6ccc3c4c65)cc21
InChIInChI=1S/C65H42/c1-65(2)59-37-47(39-13-15-42(16-14-39)51-29-19-45-21-33-55-49(40-9-5-3-6-10-40)27-17-43-23-35-57(51)63(45)61(43)55)25-31-53(59)54-32-26-48(38-60(54)65)52-30-20-46-22-34-56-50(41-11-7-4-8-12-41)28-18-44-24-36-58(52)64(46)62(44)56/h3-38H,1-2H3
InChIKeyPWLFZAQDHZPCAD-UHFFFAOYSA-N
XLogP18.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500823.05
LogP ≤ 518.12
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

1-[9,9-dimethyl-7-(4-pyren-1-ylphenyl)fluoren-2-yl]-6-phenylpyrene
CID 156656858
1-[3-(9,9-dimethyl-7-pyren-1-ylfluoren-2-yl)phenyl]pyrene;1-[4-(9,9-dimethyl-7-pyren-1-ylfluoren-2-yl)phenyl]pyrene;1-[3-[3-phenyl-5-(3-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-[4-[3-phenyl-5-(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-[3-phenyl-5-(4-pyren-1-ylphenyl)phenyl]pyrene;1-[3-[4-(3-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-[3-[4-(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-(3-pyren-1-ylphenyl)pyrene
CID 158441814
3-(9,9-dimethylfluoren-2-yl)-1,6-diphenylpyrene
CID 123577752
1-[3-[3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-5-phenylphenyl]phenyl]pyrene
CID 59217234
1-[7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]pyrene
CID 123435588
1-[6-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)naphthalen-2-yl]pyrene
CID 59217278
1-[6-[9,9-dimethyl-7-(6-pyren-1-ylnaphthalen-2-yl)fluoren-2-yl]naphthalen-2-yl]pyrene
CID 59217018
1-[3-[9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)fluoren-2-yl]phenyl]pyrene;1-[9,9-dimethyl-7-(3-naphthalen-2-yl-5-phenylphenyl)fluoren-2-yl]pyrene;1-[4-(3,5-dinaphthalen-1-ylphenyl)phenyl]pyrene;1-[7-(3,5-diphenylphenyl)-9,9-dimethylfluoren-2-yl]pyrene;1-(4-naphthalen-2-ylnaphthalen-1-yl)pyrene;1-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]pyrene;1-(4-naphthalen-1-ylphenyl)pyrene;1-[4-(4-phenylphenyl)naphthalen-1-yl]pyrene
CID 160669115
2-[4-[4-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]phenyl]phenyl]-9,9-dimethyl-7-(2-phenylphenyl)fluorene
CID 58880971
6,6,12,12-tetramethyl-2-[6-(4-naphthalen-1-ylphenyl)pyren-1-yl]indeno[1,2-b]fluorene
CID 59390161
6,6,12,12-tetramethyl-2-(6-naphthalen-2-ylpyren-1-yl)indeno[1,2-b]fluorene
CID 59390153
tris(1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)pyrene);tris(1-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)pyrene)
CID 159354982

Frequently Asked Questions

What is the IUPAC name of 1-[4-[9,9-dimethyl-7-(6-phenylpyren-1-yl)fluoren-2-yl]phenyl]-6-phenylpyrene?
The IUPAC name of 1-[4-[9,9-dimethyl-7-(6-phenylpyren-1-yl)fluoren-2-yl]phenyl]-6-phenylpyrene (CID 156656915) is 1-[4-[9,9-dimethyl-7-(6-phenylpyren-1-yl)fluoren-2-yl]phenyl]-6-phenylpyrene.
What is the SMILES notation for 1-[4-[9,9-dimethyl-7-(6-phenylpyren-1-yl)fluoren-2-yl]phenyl]-6-phenylpyrene?
The canonical SMILES for 1-[4-[9,9-dimethyl-7-(6-phenylpyren-1-yl)fluoren-2-yl]phenyl]-6-phenylpyrene is CC1(C)c2cc(-c3ccc(-c4ccc5ccc6c(-c7ccccc7)ccc7ccc4c5c76)cc3)ccc2-c2ccc(-c3ccc4ccc5c(-c6ccccc6)ccc6ccc3c4c65)cc21.
What is the InChIKey of 1-[4-[9,9-dimethyl-7-(6-phenylpyren-1-yl)fluoren-2-yl]phenyl]-6-phenylpyrene?
The InChIKey is PWLFZAQDHZPCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H42/c1-65(2)59-37-47(39-13-15-42(16-14-39)51-29-19-45-21-33-55-49(40-9-5-3-6-10-40)27-17-43-23-35-57(51)63(45)61(43)55)25-31-53(59)54-32-26-48(38-60(54)65)52-30-20-46-22-34-56-50(41-11-7-4-8-12-41)28-18-44-24-36-58(52)64(46)62(44)56/h3-38H,1-2H3.
What are the key properties of 1-[4-[9,9-dimethyl-7-(6-phenylpyren-1-yl)fluoren-2-yl]phenyl]-6-phenylpyrene?
1-[4-[9,9-dimethyl-7-(6-phenylpyren-1-yl)fluoren-2-yl]phenyl]-6-phenylpyrene has a molecular weight of 823.05 g/mol, XLogP of 18.12, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[9,9-dimethyl-7-(6-phenylpyren-1-yl)fluoren-2-yl]phenyl]-6-phenylpyrene is sourced from PubChem (CID 156656915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).