9,10-bis(9,9-dimethylfluoren-2-yl)-2-pent-3-enylanthracene

C49H42 — CID 123930394

IUPAC9,10-bis(9,9-dimethylfluoren-2-yl)-2-pent-3-enylanthracene
SMILESCC=CCCc1ccc2c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c2c1
InChIInChI=1S/C49H42/c1-6-7-8-15-31-22-25-40-41(28-31)47(33-24-27-37-35-17-12-14-21-43(35)49(4,5)45(37)30-33)39-19-10-9-18-38(39)46(40)32-23-26-36-34-16-11-13-20-42(34)48(2,3)44(36)29-32/h6-7,9-14,16-30H,8,15H2,1-5H3
InChIKeyWTFWHJSDYLNCCV-UHFFFAOYSA-N
MW630.88 g/mol
LogP13.45
Rot. Bonds5

About 9,10-bis(9,9-dimethylfluoren-2-yl)-2-pent-3-enylanthracene

9,10-bis(9,9-dimethylfluoren-2-yl)-2-pent-3-enylanthracene (PubChem CID 123930394) has the molecular formula C49H42 and a molecular weight of 630.88 g/mol. Its IUPAC name is 9,10-bis(9,9-dimethylfluoren-2-yl)-2-pent-3-enylanthracene.

Molecular Properties

Compound Name9,10-bis(9,9-dimethylfluoren-2-yl)-2-pent-3-enylanthracene
PubChem CID123930394
Molecular FormulaC49H42
Molecular Weight630.88 g/mol
Exact Mass630.33
IUPAC Name9,10-bis(9,9-dimethylfluoren-2-yl)-2-pent-3-enylanthracene
SMILESCC=CCCc1ccc2c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c2c1
InChIInChI=1S/C49H42/c1-6-7-8-15-31-22-25-40-41(28-31)47(33-24-27-37-35-17-12-14-21-43(35)49(4,5)45(37)30-33)39-19-10-9-18-38(39)46(40)32-23-26-36-34-16-11-13-20-42(34)48(2,3)44(36)29-32/h6-7,9-14,16-30H,8,15H2,1-5H3
InChIKeyWTFWHJSDYLNCCV-UHFFFAOYSA-N
XLogP13.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.88
LogP ≤ 513.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9,10-bis(9,9-dimethylfluoren-2-yl)-2-ethylanthracene
CID 58019447
9-(9,9-dimethylfluoren-2-yl)-10-[10-(4-ethylphenyl)anthracen-9-yl]anthracene
CID 20821930
6-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]benzene-1,2,3,4,5-pentol
CID 149227774
9-(9,9-dimethylfluoren-2-yl)-10-[7-[10-(9,9-dimethylfluoren-2-yl)-2,3-diethylanthracen-9-yl]-9,9-dimethylfluoren-2-yl]-2,3-diethylanthracene
CID 20822097
9-(9,9-dimethylfluoren-2-yl)-2-phenyl-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 59194700
9-(9,9-dimethylfluoren-2-yl)-10-[10-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3-methylanthracen-9-yl]-2-methylanthracene
CID 58782810
9-(9,9-dimethylfluoren-2-yl)-10-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-methylanthracene
CID 59195744
2-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]dibenzofuran
CID 59194951
14,21-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-17-naphthalen-1-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 58175465
9-(9,9-dimethylfluoren-2-yl)-10-[7-(2,3-dimethyl-10-phenylanthracen-9-yl)-9,9-dimethylfluoren-2-yl]-2,3-dimethylanthracene
CID 20822196
9,10-bis(9,9-dimethylfluoren-2-yl)-2-[4-(10-phenyl-1,4-dihydroanthracen-9-yl)phenyl]anthracene
CID 153275967
9-(9,9-dimethylfluoren-2-yl)-10-(2-phenylphenyl)anthracene
CID 20822373

Frequently Asked Questions

What is the IUPAC name of 9,10-bis(9,9-dimethylfluoren-2-yl)-2-pent-3-enylanthracene?
The IUPAC name of 9,10-bis(9,9-dimethylfluoren-2-yl)-2-pent-3-enylanthracene (CID 123930394) is 9,10-bis(9,9-dimethylfluoren-2-yl)-2-pent-3-enylanthracene.
What is the SMILES notation for 9,10-bis(9,9-dimethylfluoren-2-yl)-2-pent-3-enylanthracene?
The canonical SMILES for 9,10-bis(9,9-dimethylfluoren-2-yl)-2-pent-3-enylanthracene is CC=CCCc1ccc2c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c2c1.
What is the InChIKey of 9,10-bis(9,9-dimethylfluoren-2-yl)-2-pent-3-enylanthracene?
The InChIKey is WTFWHJSDYLNCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H42/c1-6-7-8-15-31-22-25-40-41(28-31)47(33-24-27-37-35-17-12-14-21-43(35)49(4,5)45(37)30-33)39-19-10-9-18-38(39)46(40)32-23-26-36-34-16-11-13-20-42(34)48(2,3)44(36)29-32/h6-7,9-14,16-30H,8,15H2,1-5H3.
What are the key properties of 9,10-bis(9,9-dimethylfluoren-2-yl)-2-pent-3-enylanthracene?
9,10-bis(9,9-dimethylfluoren-2-yl)-2-pent-3-enylanthracene has a molecular weight of 630.88 g/mol, XLogP of 13.45, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-bis(9,9-dimethylfluoren-2-yl)-2-pent-3-enylanthracene is sourced from PubChem (CID 123930394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).