9-(7-methoxy-9,9-dimethylfluoren-2-yl)-10-[7-[10-(7-methoxy-9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene

C75H58O2 — CID 20822065

IUPAC9-(7-methoxy-9,9-dimethylfluoren-2-yl)-10-[7-[10-(7-methoxy-9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene
SMILESCOc1ccc2c(c1)C(C)(C)c1cc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4cc(-c6c7ccccc7c(-c7ccc8c(c7)C(C)(C)c7cc(OC)ccc7-8)c7ccccc67)ccc4-5)c4ccccc34)ccc1-2
InChIInChI=1S/C75H58O2/c1-73(2)63-37-43(69-55-17-9-13-21-59(55)71(60-22-14-10-18-56(60)69)45-27-33-51-53-35-29-47(76-7)41-67(53)74(3,4)65(51)39-45)25-31-49(63)50-32-26-44(38-64(50)73)70-57-19-11-15-23-61(57)72(62-24-16-12-20-58(62)70)46-28-34-52-54-36-30-48(77-8)42-68(54)75(5,6)66(52)40-46/h9-42H,1-8H3
InChIKeyNYCLLGJOSRZPPG-UHFFFAOYSA-N
MW991.29 g/mol
LogP19.90
Rot. Bonds6

About 9-(7-methoxy-9,9-dimethylfluoren-2-yl)-10-[7-[10-(7-methoxy-9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene

9-(7-methoxy-9,9-dimethylfluoren-2-yl)-10-[7-[10-(7-methoxy-9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene (PubChem CID 20822065) has the molecular formula C75H58O2 and a molecular weight of 991.29 g/mol. Its IUPAC name is 9-(7-methoxy-9,9-dimethylfluoren-2-yl)-10-[7-[10-(7-methoxy-9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene.

Molecular Properties

Compound Name9-(7-methoxy-9,9-dimethylfluoren-2-yl)-10-[7-[10-(7-methoxy-9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene
PubChem CID20822065
Molecular FormulaC75H58O2
Molecular Weight991.29 g/mol
Exact Mass990.44
IUPAC Name9-(7-methoxy-9,9-dimethylfluoren-2-yl)-10-[7-[10-(7-methoxy-9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene
SMILESCOc1ccc2c(c1)C(C)(C)c1cc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4cc(-c6c7ccccc7c(-c7ccc8c(c7)C(C)(C)c7cc(OC)ccc7-8)c7ccccc67)ccc4-5)c4ccccc34)ccc1-2
InChIInChI=1S/C75H58O2/c1-73(2)63-37-43(69-55-17-9-13-21-59(55)71(60-22-14-10-18-56(60)69)45-27-33-51-53-35-29-47(76-7)41-67(53)74(3,4)65(51)39-45)25-31-49(63)50-32-26-44(38-64(50)73)70-57-19-11-15-23-61(57)72(62-24-16-12-20-58(62)70)46-28-34-52-54-36-30-48(77-8)42-68(54)75(5,6)66(52)40-46/h9-42H,1-8H3
InChIKeyNYCLLGJOSRZPPG-UHFFFAOYSA-N
XLogP19.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500991.29
LogP ≤ 519.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-[7-(7-methoxy-9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-(4-phenylphenyl)anthracene
CID 20822210
2-[3-[3,5-bis(7-methoxy-9,9-dimethylfluoren-2-yl)phenyl]-5-(7-methoxy-9,9-dimethylfluoren-2-yl)phenyl]-7-methoxy-9,9-dimethylfluorene
CID 59858743
9-(4-ethoxyphenyl)-10-[7-[10-(4-ethoxyphenyl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene
CID 20822178
9-(4-methoxynaphthalen-1-yl)-10-[7-[10-[10-(4-methoxynaphthalen-1-yl)anthracen-9-yl]anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene
CID 20821900
9-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-phenylanthracene
CID 20822329
9-[7-[9,9-dimethyl-7-[10-[10-(4-propan-2-yloxyphenyl)anthracen-9-yl]anthracen-9-yl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-10-(4-propan-2-yloxyphenyl)anthracene
CID 20822185
9-(4-fluorophenyl)-10-[7-[10-(4-fluorophenyl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene
CID 20821966
2-(9,9-dimethylfluoren-2-yl)-7-[6-(6-methoxynaphthalen-2-yl)naphthalen-2-yl]-9,9-dimethylfluorene
CID 90394242
2,7-bis(6-methoxynaphthalen-2-yl)-9,9-dimethylfluorene
CID 90394308
9-(9,9-dimethylfluoren-2-yl)-10-[10-(4-propan-2-yloxyphenyl)anthracen-9-yl]anthracene
CID 20821931
9-[4-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]naphthalen-1-yl]-10-phenylanthracene
CID 58174880
9-[9,9-dimethyl-7-[10-[10-(3-phenylphenyl)anthracen-9-yl]anthracen-9-yl]fluoren-2-yl]-10-(3-phenylphenyl)anthracene
CID 20822310

Frequently Asked Questions

What is the IUPAC name of 9-(7-methoxy-9,9-dimethylfluoren-2-yl)-10-[7-[10-(7-methoxy-9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene?
The IUPAC name of 9-(7-methoxy-9,9-dimethylfluoren-2-yl)-10-[7-[10-(7-methoxy-9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene (CID 20822065) is 9-(7-methoxy-9,9-dimethylfluoren-2-yl)-10-[7-[10-(7-methoxy-9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene.
What is the SMILES notation for 9-(7-methoxy-9,9-dimethylfluoren-2-yl)-10-[7-[10-(7-methoxy-9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene?
The canonical SMILES for 9-(7-methoxy-9,9-dimethylfluoren-2-yl)-10-[7-[10-(7-methoxy-9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene is COc1ccc2c(c1)C(C)(C)c1cc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4cc(-c6c7ccccc7c(-c7ccc8c(c7)C(C)(C)c7cc(OC)ccc7-8)c7ccccc67)ccc4-5)c4ccccc34)ccc1-2.
What is the InChIKey of 9-(7-methoxy-9,9-dimethylfluoren-2-yl)-10-[7-[10-(7-methoxy-9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene?
The InChIKey is NYCLLGJOSRZPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H58O2/c1-73(2)63-37-43(69-55-17-9-13-21-59(55)71(60-22-14-10-18-56(60)69)45-27-33-51-53-35-29-47(76-7)41-67(53)74(3,4)65(51)39-45)25-31-49(63)50-32-26-44(38-64(50)73)70-57-19-11-15-23-61(57)72(62-24-16-12-20-58(62)70)46-28-34-52-54-36-30-48(77-8)42-68(54)75(5,6)66(52)40-46/h9-42H,1-8H3.
What are the key properties of 9-(7-methoxy-9,9-dimethylfluoren-2-yl)-10-[7-[10-(7-methoxy-9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene?
9-(7-methoxy-9,9-dimethylfluoren-2-yl)-10-[7-[10-(7-methoxy-9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene has a molecular weight of 991.29 g/mol, XLogP of 19.90, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(7-methoxy-9,9-dimethylfluoren-2-yl)-10-[7-[10-(7-methoxy-9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene is sourced from PubChem (CID 20822065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).