2-[3-[9,9-dimethyl-7-(3-phenoxy-5-pyren-2-ylphenyl)fluoren-2-yl]-5-phenoxyphenyl]pyrene

C71H46O2 — CID 59217189

IUPAC2-[3-[9,9-dimethyl-7-(3-phenoxy-5-pyren-2-ylphenyl)fluoren-2-yl]-5-phenoxyphenyl]pyrene
SMILESCC1(C)c2cc(-c3cc(Oc4ccccc4)cc(-c4cc5ccc6cccc7ccc(c4)c5c67)c3)ccc2-c2ccc(-c3cc(Oc4ccccc4)cc(-c4cc5ccc6cccc7ccc(c4)c5c67)c3)cc21
InChIInChI=1S/C71H46O2/c1-71(2)65-41-47(55-35-57(39-61(37-55)72-59-15-5-3-6-16-59)53-31-49-23-19-43-11-9-12-44-20-24-50(32-53)69(49)67(43)44)27-29-63(65)64-30-28-48(42-66(64)71)56-36-58(40-62(38-56)73-60-17-7-4-8-18-60)54-33-51-25-21-45-13-10-14-46-22-26-52(34-54)70(51)68(45)46/h3-42H,1-2H3
InChIKeyKEYZEJZJHIZVAG-UHFFFAOYSA-N
MW931.15 g/mol
LogP20.04
Rot. Bonds8

About 2-[3-[9,9-dimethyl-7-(3-phenoxy-5-pyren-2-ylphenyl)fluoren-2-yl]-5-phenoxyphenyl]pyrene

2-[3-[9,9-dimethyl-7-(3-phenoxy-5-pyren-2-ylphenyl)fluoren-2-yl]-5-phenoxyphenyl]pyrene (PubChem CID 59217189) has the molecular formula C71H46O2 and a molecular weight of 931.15 g/mol. Its IUPAC name is 2-[3-[9,9-dimethyl-7-(3-phenoxy-5-pyren-2-ylphenyl)fluoren-2-yl]-5-phenoxyphenyl]pyrene.

Molecular Properties

Compound Name2-[3-[9,9-dimethyl-7-(3-phenoxy-5-pyren-2-ylphenyl)fluoren-2-yl]-5-phenoxyphenyl]pyrene
PubChem CID59217189
Molecular FormulaC71H46O2
Molecular Weight931.15 g/mol
Exact Mass930.35
IUPAC Name2-[3-[9,9-dimethyl-7-(3-phenoxy-5-pyren-2-ylphenyl)fluoren-2-yl]-5-phenoxyphenyl]pyrene
SMILESCC1(C)c2cc(-c3cc(Oc4ccccc4)cc(-c4cc5ccc6cccc7ccc(c4)c5c67)c3)ccc2-c2ccc(-c3cc(Oc4ccccc4)cc(-c4cc5ccc6cccc7ccc(c4)c5c67)c3)cc21
InChIInChI=1S/C71H46O2/c1-71(2)65-41-47(55-35-57(39-61(37-55)72-59-15-5-3-6-16-59)53-31-49-23-19-43-11-9-12-44-20-24-50(32-53)69(49)67(43)44)27-29-63(65)64-30-28-48(42-66(64)71)56-36-58(40-62(38-56)73-60-17-7-4-8-18-60)54-33-51-25-21-45-13-10-14-46-22-26-52(34-54)70(51)68(45)46/h3-42H,1-2H3
InChIKeyKEYZEJZJHIZVAG-UHFFFAOYSA-N
XLogP20.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500931.15
LogP ≤ 520.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[3-[9,9-dimethyl-7-(3-phenoxy-5-pyren-2-ylphenyl)fluoren-2-yl]-5-phenoxyphenyl]pyrene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(9,9-dimethylfluoren-2-yl)-5-phenoxyphenyl]pyrene
CID 59217059
2-[4-[3-(9,9-dimethylfluoren-2-yl)-5-(4-phenylphenyl)phenyl]phenyl]pyrene
CID 123253774
2-[3-(9,9-dimethylfluoren-2-yl)-5-phenoxyphenyl]pyrene;9-[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazole;2-[3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-5-phenoxyphenyl]pyrene;2-[3-(9,9-dimethyl-7-phenylfluoren-2-yl)-5-phenoxyphenyl]pyrene
CID 160753270
9,9-dimethyl-2-naphthalen-2-yl-7-[3-(4-phenylphenyl)phenyl]fluorene
CID 59217136
2-[9,9-dimethyl-7-(6-naphthalen-2-ylnaphthalen-2-yl)fluoren-2-yl]-9,9-dimethyl-7-(3-phenylphenyl)fluorene
CID 123207992
1-[3-[3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-5-phenylphenyl]phenyl]pyrene
CID 59217234
1-[6-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)naphthalen-2-yl]pyrene
CID 59217278
2-[9,9-dimethyl-7-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]fluoren-2-yl]-9,9-dimethyl-7-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]fluorene
CID 123193635
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-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
6,6,12,12-tetramethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]indeno[1,2-b]fluorene
CID 140710753
2-[6-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]-9,9-dimethylfluorene
CID 58351434

Frequently Asked Questions

What is the IUPAC name of 2-[3-[9,9-dimethyl-7-(3-phenoxy-5-pyren-2-ylphenyl)fluoren-2-yl]-5-phenoxyphenyl]pyrene?
The IUPAC name of 2-[3-[9,9-dimethyl-7-(3-phenoxy-5-pyren-2-ylphenyl)fluoren-2-yl]-5-phenoxyphenyl]pyrene (CID 59217189) is 2-[3-[9,9-dimethyl-7-(3-phenoxy-5-pyren-2-ylphenyl)fluoren-2-yl]-5-phenoxyphenyl]pyrene.
What is the SMILES notation for 2-[3-[9,9-dimethyl-7-(3-phenoxy-5-pyren-2-ylphenyl)fluoren-2-yl]-5-phenoxyphenyl]pyrene?
The canonical SMILES for 2-[3-[9,9-dimethyl-7-(3-phenoxy-5-pyren-2-ylphenyl)fluoren-2-yl]-5-phenoxyphenyl]pyrene is CC1(C)c2cc(-c3cc(Oc4ccccc4)cc(-c4cc5ccc6cccc7ccc(c4)c5c67)c3)ccc2-c2ccc(-c3cc(Oc4ccccc4)cc(-c4cc5ccc6cccc7ccc(c4)c5c67)c3)cc21.
What is the InChIKey of 2-[3-[9,9-dimethyl-7-(3-phenoxy-5-pyren-2-ylphenyl)fluoren-2-yl]-5-phenoxyphenyl]pyrene?
The InChIKey is KEYZEJZJHIZVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H46O2/c1-71(2)65-41-47(55-35-57(39-61(37-55)72-59-15-5-3-6-16-59)53-31-49-23-19-43-11-9-12-44-20-24-50(32-53)69(49)67(43)44)27-29-63(65)64-30-28-48(42-66(64)71)56-36-58(40-62(38-56)73-60-17-7-4-8-18-60)54-33-51-25-21-45-13-10-14-46-22-26-52(34-54)70(51)68(45)46/h3-42H,1-2H3.
What are the key properties of 2-[3-[9,9-dimethyl-7-(3-phenoxy-5-pyren-2-ylphenyl)fluoren-2-yl]-5-phenoxyphenyl]pyrene?
2-[3-[9,9-dimethyl-7-(3-phenoxy-5-pyren-2-ylphenyl)fluoren-2-yl]-5-phenoxyphenyl]pyrene has a molecular weight of 931.15 g/mol, XLogP of 20.04, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[9,9-dimethyl-7-(3-phenoxy-5-pyren-2-ylphenyl)fluoren-2-yl]-5-phenoxyphenyl]pyrene is sourced from PubChem (CID 59217189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).